phenanthrene, pure
Phenanthrene
CAS: 85-01-8
Molecular Formula: C14H10
phenanthrene, pure - Names and Identifiers
| Name | Phenanthrene |
| Synonyms | Phenanthrene Phenznthrene Phenanthrenetech phenanthrene, pure o-Diphenylenethylene PHENANTHRENE, FOR FLUORESCENCE |
| CAS | 85-01-8 |
| EINECS | 201-581-5 |
| InChI | InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H |
phenanthrene, pure - Physico-chemical Properties
| Molecular Formula | C14H10 |
| Molar Mass | 178.23 |
| Density | 1.063 g/mL at 25 °C (lit.) |
| Melting Point | 98-100 °C (lit.) |
| Boling Point | 340 °C (lit.) |
| Flash Point | 99-101°C |
| Water Solubility | insoluble |
| Solubility | Soluble in alcohol, benzene, toluene, and glacial acetic acid |
| Vapor Presure | 0.00012 hPa (20 °C) |
| Vapor Density | 6.14 |
| Appearance | platelets (fine) |
| Color | brown |
| Exposure Limit | OSHA: TWA 0.2 mg/m3 |
| Merck | 14,7212 |
| BRN | 1905428 |
| pKa | >15 (Christensen et al., 1975) |
| Storage Condition | room temp |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Sensitive | Sensitive to light |
| Refractive Index | 1.5943 |
| MDL | MFCD00001168 |
| Physical and Chemical Properties | Flaky crystals with white luster and fluorescence. melting point 100 ℃ boiling point 340 ℃ relative density 0.9800 refractive index 1.5943 solubility insoluble in water, slightly soluble in ethanol, soluble in ether, acetic acid, benzene, carbon tetrachloride and carbon disulfide. |
| Use | For the preparation of phenanthrene quinone, synthetic resins, pesticides, preservatives, etc |
phenanthrene, pure - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R50 - Very Toxic to aquatic organisms R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R40 - Limited evidence of a carcinogenic effect R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R38 - Irritating to the skin R11 - Highly Flammable R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R63 - Possible risk of harm to the unborn child R43 - May cause sensitization by skin contact R45 - May cause cancer R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R20 - Harmful by inhalation |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. S29 - Do not empty into drains. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. S24/25 - Avoid contact with skin and eyes. S23 - Do not breathe vapour. S53 - Avoid exposure - obtain special instructions before use. S37/39 - Wear suitable gloves and eye/face protection S22 - Do not breathe dust. S33 - Take precautionary measures against static discharges. S25 - Avoid contact with eyes. S9 - Keep container in a well-ventilated place. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | SF7175000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 2902 90 00 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 i.p. in mice: 700 mg/kg (IARC) |
phenanthrene, pure - Upstream Downstream Industry
| Raw Materials | Coal Tar |
| Downstream Products | Phenanthrenequinone |
phenanthrene, pure - Nature
Open Data Verified Data
white patchy crystals with luster and fluorescence can sublimate. Insoluble in water, slightly soluble in ethanol, soluble in ether, acetic acid, benzene, carbon tetrachloride and carbon disulfide. The solution has blue fluorescence with a melting point of 100 °c and a boiling point of 340 °c. Refractive index 5943. The relative density was 0.9800. Spontaneous ignition point 185. The mixture of dust and air can form an explosive mixture, and the explosion limit is 5. 04g/m3 (lower limit).
Last Update：2024-01-02 23:10:35
phenanthrene, pure - Preparation Method
Open Data Verified Data
in high temperature tar containing about 4. 5%~ 5.0% by crude distillation of phenanthrene fraction as raw material, xylene, alcohol extraction, recrystallization. Fine Phenanthrene can be obtained from industrial phenanthrene by sulfonation and crystallization.
Last Update：2022-01-01 10:40:17
phenanthrene, pure - Introduction
Can sublimate. Insoluble in water, slightly soluble in ethanol, soluble in ether, glacial acetic acid, benzene, carbon tetrachloride and carbon disulfide. The solution has blue fluorescence.
Last Update：2022-10-16 17:29:21
phenanthrene, pure - Use
Open Data Verified Data
Phenanthrene is oxidized to phenanthrene quinone, which is used to replace the organic mercury pesticide xilisheng, Selex; It can be used as pulp antifogging agent in the paper industry, also used for nitroglycerin explosive, nitrocellulose stabilizer and smoke bomb. The solid oxide of Phenanthrene can be made into Electrical insulating materials and filling agents with good flame resistance. In medicine, phenanthrene synthesizes alkaloids (morphine and caffeine), dimethylmorphine and many medicines with special physiological effects on the reproductive organs. In the dye industry, Phenanthrene can be prepared from 2 amino phenanthrone, phenylanthrone, sulfide vat dyes (blue BO, black BB and Brown) and so on. In addition, synthetic tanning agents in the plastic industry and the hydrogenation of Phenanthrene at high temperatures and pressures can produce perhydrophenanthrene, a fuel for advanced jet aircraft.
Last Update：2022-01-01 10:40:17
phenanthrene, pure - Safety
Open Data Verified Data
- mouse oral LD50 700mg/kg, intravenous injection LD50 56mg/kg. This product may be carcinogenic. Operators should wear rubber gloves, face masks, work clothes, and forced ventilation to maintain the concentration in the air below the explosion limit.
- This product is packed in a strong wooden box, wooden barrel or plastic barrel, lined with plastic bag or kraft paper, and the packing mouth should be tight without leakage. The net weight of each box shall not exceed 50kg. Stored in open area.
Last Update：2022-01-01 10:40:18
phenanthrene, pure - Reference Information
| Henry's Law Constant | 0.49, 1.80, 3.35, and 7.89 at 5, 15, 25, and 35 °C, respectively (gas stripping-GC, Odabasi et al.,2006) |
| (IARC) carcinogen classification | 3 (Vol. Sup 7, 92) 2010 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Non-linear polycyclic aromatic hydrocarbon | Phenanthrene is the simplest non-linear polycyclic aromatic hydrocarbon with three benzene ring structures, isomer of anthracene. In 1872, E.Ostermayer and others found phenanthrene in Anthracene oil fraction of coal tar, which is one of the processing products of coal tar. The content of phenanthrene in high temperature coal tar is only next to naphthalene, about 4 ~ 6%, mainly concentrated in an Anthracene oil fraction. The chemical activity of phenanthrene is stronger than naphthalene, but weaker than anthracene, 9,10 can also occur oxidation, addition and other reactions. Phenanthrene is a lustrous colorless crystal, the phenanthrene precipitated from ethanol is a colorless monoclinic flaky crystal, and the phenanthrene obtained by sublimation is a leaf-like crystal with a relative density of 1.179(25/4 ℃), refractive Index of 1.6450, melting point of 101 ℃, boiling point of 340 ℃, sublimation, insoluble in water, ethanol-soluble, soluble in ether, benzene, acetic acid, chloroform, carbon tetrachloride and carbon disulfide, the solution gave blue fluorescence. The 1, 4,5,8-position in the molecule is the same as the α-position; The 2,3,6,7-position is the β-position; 9, the 10-position identity is referred to as the γ-position. Chemical properties between naphthalene and anthracene. It can also undergo an addition reaction at the 9,10-position, but is not as easy as anthracene. Oxidation also takes place at the 9,10-position, to give phenanthrone. Substitution reactions may also occur. Phenanthrene can be separated from the Anthracene oil fraction of coal tar. Phenanthrene can be used in the manufacture of pesticides and dyes, etc., and also used as a stabilizer for high efficiency and low toxicity pesticides and smokeless propellants and other explosives. Phenanthrene can be used to produce dyes, drugs and resins after conversion processing. Phenanthrene oxidation products phenanthrene quinone can be used as dyes, fungicides and polymerization inhibitors; 9,10-biphthalic acid is used for the preparation of polyester and alkyd resin, 10-dihydro-9-phenanthrene carboxylic acid is a plant-growing growth hormone; Phenanthrene is a full-hydrogen phenanthrene produced by hydrogenation of phenanthrene and can be used to produce jet fuel; Sulfonated phenanthrene sulfonic acid, it can be used as a binder and tanning agent. The mother liquor containing phenanthrene obtained when the anthracene was purified by the solvent method was washed with the recovered solvent and then recrystallized and filtered to obtain crude phenanthrene containing 40% phenanthrene. Crude Phenanthrene is removed from the residual solvent in the melting kettle, then it is rectified in a rectification column with 20 theoretical trays, and the fraction at 335~340 ℃ is cut out. After cooling, crystallization and filtration give a commercial phenanthrene containing more than 70% of the phenanthrene. |
| molecular structure | the molecular structure of phenanthrene is similar to that of anthracene, all atoms in the molecule are on the same plane, but not on the same straight line, is a closed conjugated system, with aromatic. 1,2,3,4,10 and 5,6,7,8,9 in the molecule, but there is a difference in the activity of 5 positions, among them, the activity of 9 and 10 positions is higher, and the substitution, oxidation and addition reactions are first carried out at the 9 and 10 positions: phenanthroquinone is a pesticide, which is used as a bactericidal seed dressing agent, can prevent Wheat scab, head smut and sweet potato spot disease. commercially, Phenanthrene is extracted from the Anthracene oil fraction obtained by distillation of coal tar. Many natural products (such as sterols) contain this ring system in the molecule. Phenanthrene is mainly used in the manufacture of dyes, drugs, high-efficiency and low-toxicity pesticides, and can be used as scintillation agents, smoke-free powder stabilizers. Many derivatives of phenanthrene have carcinogenic physiological effects. Such as: The molecular structure of 2-methyl -3, 4-benzophenanthrene and 1,2,3, 4-dibenzophenanthrene |
| Application | used in the preparation of phenanthrene quinone, synthetic resins, pesticides, preservatives, etc, used to replace the organic mercury agent pesticide xilisheng, Selex, the oxidation of biphenyl acid can be used for the preparation of alkyd resin, phenanthrene oxidation can also be Phthalic anhydride, cyclohexanone, phenol. Phenanthrene chlorinated products can be used to make non-flammable electrical insulators and impregnants. The phenanthrene sulfonic acid obtained by The sulfonation of Phenanthrene can be used to prepare binders, tanning materials, and the like. In practice, however, most of these areas of application remain to be developed. In the paper industry, the Phenanthrene can be used as pulp fogging agent; Also can be used for nitroglycerin explosive and nitrocellulose stabilizer and manufacturing smoke; Phenanthrene solid oxide can be made flame resistance good electrical insulation materials and fillers. In medicine, phenanthrene synthetic alkaloids-morphine and caffeine, dimethylmorphine and many of the reproductive organs have special physiological effects of medicine. In the dye industry, Phenanthrene can be prepared from 2-amino phenanthrone, phenylanthrone, sulfide vat dyes (blue BO, black BB and Brown), etc. In addition, synthetic tanning agents in the plastic industry, as well as the hydrogenation of Phenanthrene at high temperatures and pressures, are available as a fuel for advanced jet aircraft. Phenanthrene is oxidized to phenanthrene quinone, and biphenyl acid obtained by oxidation can be used to make polyester resin and alkyd resin; Phenanthrene oxidation can obtain phthalic anhydride, cyclohexanone and phenol, phenanthrene can be used as pulp antifogging agent; In medicine, Phenanthrene can synthesize alkaloids; In the dye industry, Phenanthrene can be used to prepare 2-amino phenanthrone, phenylanthrone, sulfide vat dyes (blue BO, Black BB and Brown); Phenanthrene hydrogenation under high temperature and high pressure can obtain hydrogen phenanthrene, which is the fuel of advanced jet aircraft can be used for synthetic resins, plant growth hormones, vat dyes, in terms of tanning materials and the like, all-hydrogen phenanthrene obtained by hydrogenation of Phenanthrene can be used to produce fuel for jet aircraft. for the determination of molecular weight and synthesis of organic compounds |
| production method | Phenanthrene is a component with more content in coal tar, accounting for about 5% of coal tar, second only to naphthalene content. Coal tar 300-360 deg C distillation range of an Anthracene oil, the content of phenanthrene, followed by anthracene and carbazole. The method of extracting Phenanthrene is usually to cool and crystallize an Anthracene oil, and then remove the oil by vacuum suction filtration or centrifugal filtration. More phenanthrene dissolved in oil can be recovered by precision distillation. The crystals obtained are referred to as crude anthracene and contain 25-30% of anthracene, 22-25% of carbazole, and about 30% of phenanthrene. The crude anthracene is extracted with heavy benzene, cooled, and filtered. The filtrate is distilled off of the solvent, and then recrystallized and filtered. Industrial Phenanthrene is obtained by distilling the filtrate, and refined Phenanthrene is obtained by sulfonation and crystallization. |
| spontaneous combustion temperature | >450°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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