DCA Deblock (0.36M dichloroacetic acid in toluene)
Dichloroacetic acid
CAS: 79-43-6
Molecular Formula: C2H2Cl2O2
DCA Deblock (0.36M dichloroacetic acid in toluene) - Names and Identifiers
| Name | Dichloroacetic acid |
| Synonyms | Dichloressigsure Dichloroacetic acid Dichloro acetic acid DICHLOROACETICACID,REAGENT DICHLOROACETIC ACID PESTANAL DICHLOROACETIC ACID REDISTILLED DCA Deblock (0.36M dichloroacetic acid in toluene) |
| CAS | 79-43-6 |
| EINECS | 201-207-0 |
| InChI | InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
DCA Deblock (0.36M dichloroacetic acid in toluene) - Physico-chemical Properties
| Molecular Formula | C2H2Cl2O2 |
| Molar Mass | 128.94 |
| Density | 1.56 g/mL at 25 °C (lit.) |
| Melting Point | 9-11°C(lit.) |
| Boling Point | 194°C(lit.) |
| Flash Point | >230°F |
| Water Solubility | soluble |
| Vapor Presure | 0.19 mm Hg ( 20 °C) |
| Vapor Density | 4.5 (vs air) |
| Appearance | Liquid |
| Color | APHA: <50 |
| Exposure Limit | ACGIH: TWA 0.5 ppm (Skin) |
| Merck | 14,3050 |
| BRN | 1098596 |
| pKa | 1.48(at 25℃) |
| PH | 1.2 (129g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic. |
| Sensitive | Hygroscopic |
| Refractive Index | n20/D 1.466(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. melting point 5~6 ℃ boiling point 193~194 ℃ freezing point relative density 1.5634 refractive index flash point solubility in water, ethanol and ether |
| Use | For organic synthesis and pharmaceutical industry, dye intermediates |
DCA Deblock (0.36M dichloroacetic acid in toluene) - Risk and Safety
| Risk Codes | R36/38 - Irritating to eyes and skin. R40 - Limited evidence of a carcinogenic effect R50 - Very Toxic to aquatic organisms R35 - Causes severe burns R36/37/38 - Irritating to eyes, respiratory system and skin. R67 - Vapors may cause drowsiness and dizziness R38 - Irritating to the skin R65 - Harmful: May cause lung damage if swallowed R48/20 - R11 - Highly Flammable R63 - Possible risk of harm to the unborn child R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. S36 - Wear suitable protective clothing. S16 - Keep away from sources of ignition. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 1764 8/PG 2 |
| WGK Germany | 2 |
| RTECS | AG6125000 |
| FLUKA BRAND F CODES | 3-10 |
| TSCA | Yes |
| HS Code | 2915 40 00 |
| Hazard Class | 8 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 2.82 g/kg (Smyth) |
DCA Deblock (0.36M dichloroacetic acid in toluene) - Nature
Open Data Verified Data
colorless liquid, relative density 5634. Melting point 5~6 °c. Boiling point 19 3~194 deg C. Soluble in water, ethanol and ether.
Last Update：2024-01-02 23:10:35
DCA Deblock (0.36M dichloroacetic acid in toluene) - Preparation Method
Open Data Verified Data
- acetic acid chlorination mother liquor recovery method from acetic acid chlorination of chloroacetic acid mother liquor, chloroacetic acid mother liquor under the catalysis of sulfur, chlorination reaction, obtained by distillation.
- chloral process chloral was obtained by cyanation, dehydrochlorination and hydrolysis.
- The acetic acid method is derived from the chlorination of acetic acid under the catalysis of iodine.
Last Update：2022-01-01 10:31:39
DCA Deblock (0.36M dichloroacetic acid in toluene) - Use
Open Data Verified Data
It is used as an intermediate in organic synthesis, in the preparation of methyl dichloroacetate, allantoin and cationic dyes.
Last Update：2022-01-01 10:31:39
DCA Deblock (0.36M dichloroacetic acid in toluene) - Safety
Open Data Verified Data
significantly stimulate the skin and mucosa. Rat oral ld4.48g/kg. Production equipment is required to be closed, the workshop is well ventilated, and the staff should wear protective equipment. Packed in a 70kg plastic bucket. Store in a cool, dry, ventilated warehouse. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:31:39
DCA Deblock (0.36M dichloroacetic acid in toluene) - Reference Information
| LogP | 0.92 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 2B (Vol. 63, 84, 106) 2014 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | used as pesticide and pharmaceutical intermediates used in organic synthesis and pharmaceutical industry used as organic synthesis intermediates, for the preparation of dichloroacetic acid methyl ester (chloramphenicol intermediate) and medicine allantoin and cationic dyes. used in organic synthesis and pharmaceutical industry, dye intermediates, etc. |
| production method | 1. Acetic acid chlorination mother liquor recovery method from acetic acid chlorination of chloroacetic acid mother liquor, chloroacetic acid mother liquor in sulfur catalysis, chlorination reaction, by distillation. Chloral method chloral was obtained by cyanation, dehydrochlorination and hydrolysis. Acetic acid method from acetic acid in iodine catalyzed by chlorination. |
| category | corrosive article |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2820 mg/kg |
| stimulation data | Skin-moderate in rabbits at 10 mg/24 h; eye-rabbit 0.05 mg severe |
| flammability hazard characteristics | decomposition of toxic chloride gas when exposed to heat; Release of toxic chloride gas when exposed to water; toxic chloride smoke from heat |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from oxidants and alkalis. |
| fire extinguishing agent | Sand, foam, water mist, carbon dioxide |
| Occupational Standard | SEL 4 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:05:15
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