3-Chloroaniline CAS 108-42-9
Introduction：Basic information about 3-Chloroaniline CAS 108-42-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Chloroaniline Basic information
| Product Name: | 3-Chloroaniline |
| Synonyms: | 3-Cloroaniline;Aniline, 3-chloro-;Aniline, m-chloro-;Azoic diazo component 2, base;Benzenamine, 3-chloro-;Benzenamine,3-chloro-;Benzeneamine, 3-chloro-;chloro-3aniline |
| CAS: | 108-42-9 |
| MF: | C6H6ClN |
| MW: | 127.57 |
| EINECS: | 203-581-0 |
| Product Categories: | Amines;C2 to C6;Nitrogen Compounds;2005/70/EU;Alpha sort;AromaticsPesticides&Metabolites;Chlorobenzene Series;C;CAlphabetic;Chemical Class;CHMethod Specific;European Community: ISO and DIN;amine series;amine | alkyl chloride |
| Mol File: | 108-42-9.mol |
3-Chloroaniline Chemical Properties
| Melting point | −11-−9 °C(lit.) |
| Boiling point | 95-96 °C11 mm Hg(lit.) |
| density | 1.206 g/mL at 25 °C(lit.) |
| vapor pressure | 1 mm Hg ( 63.5 °C) |
| refractive index | n |
| Fp | 255 °F |
| storage temp. | Store below +30°C. |
| solubility | 6.2g/l |
| form | Liquid |
| pka | 3.46(at 25℃) |
| color | Clear pale yellow to brown |
| Odor | Characteristic odour |
| PH | 7.3 (H2O)(saturated aqueous solution) |
| Water Solubility | 6.8 g/L (20 ºC) |
| Decomposition | 190°C |
| Merck | 14,2118 |
| BRN | 605969 |
| Dielectric constant | 13.4（19℃） |
| Stability: | Material darkens in storage with no loss in purity, Material Darkens In Storage |
| InChI | 1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | PNPCRKVUWYDDST-UHFFFAOYSA-N |
| SMILES | Nc1cccc(Cl)c1 |
| LogP | 0.77-2.03 at 25-30℃ |
| CAS DataBase Reference | 108-42-9(CAS DataBase Reference) |
| NIST Chemistry Reference | m-Chloroaniline(108-42-9) |
| EPA Substance Registry System | m-Chloroaniline (108-42-9) |
Safety Information
| Hazard Codes | T,N |
| Risk Statements | 23/24/25-33-50/53 |
| Safety Statements | 28-36/37-45-60-61-28A |
| RIDADR | UN 2019 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | BX0350000 |
| F | 8-10-23 |
| Autoignition Temperature | 705 °C |
| Hazard Note | Toxic |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29214210 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 Skin Sens. 1B STOT RE 2 Oral |
| Hazardous Substances Data | 108-42-9(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 256 mg/kg LD50 dermal Rat 250 mg/kg |
| Description | m-Chloroaniline is used as an intermediate for pesticides, pharmaceuticals,and dyes. It is produced by lowpressurehydrogenation of 3-chloronitrobenzenein the liquid phase with noble metal and/or noblemetal sulfide catalysts. The addition of metal oxidesto the reaction helps avoid dehalogenation.The yield is approximately 98 %. |
| Chemical Properties | 3-Chloroaniline is a clear pale yellow to brown liquid, which becomes darker during storage, insoluble in water, but soluble in ethanol, ether and acid solution. |
| Uses | 3-Chlorobenzenamine is used in the synthesis of pyrimidoazepine analogs as serotonin 5-HT2A and 5-HT2C receptor ligands for the treatment of obesity. Also used in the synthesis of novel COX-2 inhibitors. |
| Application | 3-Chloroaniline is the intermediate of the herbicide chloraniline, and the intermediate of the pharmaceutical diuretic antihypertensive drug hydrochlorothiazide, and can be used to produce azo dyes. 3-Chloroaniline was the only aniline compound to increase plasmaALT/GPT activity at 48 h. It is employed in the bioaugmentation of activated sludge. |
| Preparation | 3-Chloroaniline is obtained by reducing 3-Nitrochlorobenzene with iron powder in the presence of ferrous sulfate. |
| Synthesis Reference(s) | Tetrahedron Letters, 36, p. 7313, 1995 DOI: 10.1016/0040-4039(95)01474-V |
| General Description | Colorless to light amber liquid with a sweet odor. |
| Air & Water Reactions | Sensitive to prolonged exposure to air and light and tends to darken during storage. Insoluble in water. |
| Reactivity Profile | 3-Chloroaniline is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents. |
| Fire Hazard | 3-Chloroaniline is combustible. |
| Flammability and Explosibility | Non flammable |
| Safety Profile | Poison by ingestion, skin contact, subcutaneous, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cland NOx. See also ANILINE DYES. |
3-Chloroaniline Preparation Products And Raw materials
| Raw materials | Sodium sulfide-->1-Chloro-3-nitrobenzene |
| Preparation Products | 1,3-Dichlorobenzene-->5-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID-->Fenbendazole-->3-Chlorophenol-->Fluorescent brightener No.31-->Miconazole nitrate-->7-CHLORO-4-HYDROXY-3-QUINOLINECARBOXYLIC ACID-->1-(3-Chlorophenyl)piperazine dihydrochloride-->1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride-->4-BROMO-3-CHLOROACETANILIDE-->FAST ORANGE GC SALT-->7-Chloroquinolin-4-ol-->3-CHLOROANILINE HYDROCHLORIDE-->diethyl [(m-chloroanilino)methylene]malonate-->3-Chlorophenyl isocyanate-->7-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID METHYL ESTER-->3-CHLORODIPHENYLAMINE-->Clofenamic acid-->BARBAN-->4-Amino-6-chlorobenzene-1,3-disulfonamide-->Hydrochlorothiazide-->Febantel-->4-AMINO-6-CHLORO-BENZENE-1,3-DISULFONYL DICHLORIDE |
