4-chloro-m-creso
4-Chloro-3-methylphenol
CAS: 59-50-7
Molecular Formula: C7H7ClO
4-chloro-m-creso - Names and Identifiers
| Name | 4-Chloro-3-methylphenol |
| Synonyms | PCMC p-Choro-m-cresol 4-chloro-m-creso p-Chloro-m-cresol P-CHLORO-M-CRESOL 4-Chloro-m-cresol 4-Chloro-5-methylphenol 4-Chloro-3-methylphenol 3-Methyl-4-chlorophenol 4-chloro-3-methyl-pheno PARA CHLORO META CRESOL 4-Chloro-l,3-Methylphenol 2-Chloro-5-hydroxytoluene 6-Chloro-3-hydroxytoluene 4-chloro-1-hydroxy-3-methylbenzene 4-chloro-3-methylphenol(p-chlorocresol) |
| CAS | 59-50-7 |
| EINECS | 200-431-6 |
| InChI | InChI=1/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3 |
| InChIKey | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
4-chloro-m-creso - Physico-chemical Properties
| Molecular Formula | C7H7ClO |
| Molar Mass | 142.58 |
| Density | 1.370 |
| Melting Point | 63-65 °C (lit.) |
| Boling Point | 235 °C (lit.) |
| Flash Point | 118 °C |
| Water Solubility | 4 g/L (20 ºC) |
| Solubility | methanol: soluble1g/10 mL, clear, colorless |
| Appearance | Tablets |
| Color | White |
| Merck | 14,2133 |
| BRN | 1237629 |
| pKa | pKa 9.55(t = 25) (Uncertain) |
| PH | 6.5 (1g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with brass, oxidizing agents, copper, copper alloys. |
| Refractive Index | 1.5449 (estimate) |
| Physical and Chemical Properties | Melting Point 63-65°C boiling point 235°C flash point 118°C water-soluble 4g/L (20°C) |
| Use | Used as a medical preservative |
4-chloro-m-creso - Risk and Safety
| Risk Codes | R21/22 - Harmful in contact with skin and if swallowed. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R50 - Very Toxic to aquatic organisms R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R38 - Irritating to the skin |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. S28 - After contact with skin, wash immediately with plenty of soap-suds. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | GO7100000 |
| TSCA | Yes |
| HS Code | 29081000 |
| Hazard Class | 6.1(a) |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 1830 mg/kg LD50 dermal Rat > 2000 mg/kg |
4-chloro-m-creso - Standard
Authoritative Data Verified Data
This product is 4-chloro-3-methylphenol. The content of GH7CIO should be between 98.0% and 101.0%.
Last Update：2024-01-02 23:10:35
4-chloro-m-creso - Trait
Authoritative Data Verified Data
- This product is white or off-white crystalline powder or block crystal; Special odor of phenol; Light or in the air color gradient deep.
- This product is easily soluble in ethanol, soluble in ether and petroleum ether, slightly soluble in water; Soluble in alkaline solution.
melting point
The melting point of this product (General 0612) is 64~671.
Last Update：2022-01-01 11:27:03
4-chloro-m-creso - Differential diagnosis
Authoritative Data Verified Data
- take about 40mg of this product, add 10ml of water, shake, and add 1 Drop of iron gas test solution, which shows blue and purple.
- take about 30mg of this product, add 10ml of water, shake to dissolve, add bromine test solution, white precipitate will occur.
- take about 50mg of this product and 0.5g of anhydrous sodium osteoclast, mix them, heat them to dark red color, continue heating for 10 minutes, add water to dissolve them after cooling, the filtrate shows the identification reaction of chloride (General 0301).
Last Update：2022-01-01 11:27:04
4-chloro-m-creso - Exam
Authoritative Data Verified Data
acidity
take 3.0g of this product, grind, add 60ml of water, shake for 2 minutes, filter, take 10ml of filtrate, add O.lml of Methyl red indicator solution, the solution shows orange or red. Add O.Olmol/L sodium hydroxide solution, which is yellow, and the amount of added person should not exceed 0.2.
clarity and color of solution
take 0901G of this product, add 25ml of ethanol to dissolve, check according to law (General rule 0902 and general rule), the solution should be clear and colorless; if the color development is compared with the orange-red No. 2 Standard Colorimetric solution (General rules 0901 first method), it shall not be deeper.
Related substances
take this product l. Add appropriate amount of acetone to dissolve, dilute with acetone to the scale, and shake well to be used as a test solution, in a 100ml measuring flask, dilute to the scale with acetone, shake well, take 10ml precisely, in a 100ml measuring flask, dilute to the scale with acetone, shake well, and use as a control solution; in addition, an appropriate amount of m-cresol reference substance was accurately weighed, dissolved with acetone and quantitatively diluted to a solution containing 50ug per 1 ml, which was used as a reference solution. Using a capillary column (30m x 0521, 35% um) with 0.5 phenylmethylpolysiloxane as the stationary phase, the temperature of the injection port is 210 ° C. And the temperature of the detector is 28 ° C, the column temperature was 125°C. In addition, an appropriate amount of O-cresol and m-cresol reference substance was dissolved and diluted with propyl alcohol to make a mixed solution containing 50ug per 1 ml, and lul was injected into the gas chromatograph, the resolution of O-cresol peak and m-cresol peak should meet the requirements. Precision take 1ul of control solution, injection gas chromatograph, gas cresol peak retention time is about 8 minutes, adjust the detection sensitivity,
The peak height of the principal component chromatographic peak was about 20% of the full scale. The lul of the control solution, the reference solution and the test solution were respectively injected into the human gas chromatograph, and the chromatogram was recorded to 3 times of the retention time of the main peak. If there are impurity peaks in the test solution, the peak area of m-cresol shall not exceed 0.5% based on the external standard method, and the peak area of other individual impurities shall not be greater than the main peak area of the control solution (0.1% ) , the sum of the peak areas of other impurities shall not be greater than 5 times (0.5%) of the main peak area of the control solution.
Non-volatile
take 2.0g of this product, put it in an evaporating dish dried at 105°C to constant weight, put it on a water bath, and then dry it at 105°C to constant weight, the remaining residue should not exceed 2mg(0.1%).
Last Update：2022-01-01 11:27:04
4-chloro-m-creso - Content determination
Authoritative Data Verified Data
take about 70mg of this product, precision weighing, put the iodine bottle, add glacial acetic acid 30ml to dissolve. Precision add potassium bromate titration solution (0.01667mol/L )25M l, add 15% potassium bromide solution 20ml, hydrochloric acid 10ml. After standing in the dark for 15 minutes, add 1g of potassium iodide and 100ml of water, and use sodium thiosulfate titration solution (O.lmol/L) titration, to the near end point, add starch indicator solution lml as an indicator, and the titration results are corrected by blank test. Each 1 ml of potassium bromate titration solution (0.01667mol/L) corresponds to 3.565mg of C7H7C10.
Last Update：2022-01-01 11:27:05
4-chloro-m-creso - Category
Authoritative Data Verified Data
pharmaceutical excipients, bacteriostatic agents.
Last Update：2022-01-01 11:27:05
4-chloro-m-creso - Storage
Authoritative Data Verified Data
light shielding, sealed storage.
Last Update：2022-01-01 11:27:05
4-chloro-m-creso - Reference Information
| Henry's Law Constant | 2.5(x 10-6 atm?m3/mol)at 20 °C (calculated, Mabey et al., 1982) |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 4-chloro -3-cresol is colorless crystalline with phenol smell; Insoluble in water, soluble in most organic solvents; Stable properties. |
| application | 4-chloro-3-cresol is a phenolic derivative, which can be used as a preservative and disinfectant. |
| Use | 4-chloro-3-cresol is a Rianudine receptor activator. Used in organic synthesis, such as dyes, film preservatives, etc. Used as a pharmaceutical preservative |
| Production method | Reacts by m-cresol and dichlorothioyl. Under stirring, m-cresol was slowly added with dichlorothioyl, and the reaction temperature was controlled at 30-50 ℃. After adding, keep the temperature for 16h, wash with water, wash with sodium carbonate solution until alkaline, and then wash with hot water until neutral. The separated oil layer is dried with anhydrous calcium chloride, filtered to remove the desiccant, then distilled under reduced pressure, poured into petroleum ether, cooled, filtered, and dried to obtain the finished product. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 1830 mg/kg; Oral-mouse LD50: 600 mg/kg |
| flammability hazard characteristics | heat emits toxic chloride, phosgene smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation from sodium hydroxide |
| fire extinguishing agent | carbon dioxide, sand, foam, dry powder |
| spontaneous combustion temperature | 590°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:46
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