Related articles - 3-Chloroaniline
- 3-chloroaniline is a colorless to light amber liquid with a sweet odor. m.p.-11～-9 ℃, b.p.230～231 ℃ (95～96 ℃/1.47 kPa), n20D 1....
- Nov 9，2021
|
| | 3-Chloroaniline Basic information |
| | 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 | n20/D 1.594(lit.) | | 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 | | PH | 7.3 (H2O)(saturated aqueous solution) | | Odor | Characteristic odour | | Water Solubility | 6.8 g/L (20 ºC) | | Specific Heat Capacity | Cp(liquid): 1.56 J/(g·K), at 25℃ | | Decomposition | 190°C | | Merck | 14,2118 | | BRN | 605969 | | Henry's Law Constant | 4.7×100 mol/(m3Pa) at 25℃, Chao et al. (2017) | | 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) |
| 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 |
| | 3-Chloroaniline Usage And Synthesis |
| Description | m-Chloroaniline
is used as an intermediate for pesticides, pharmaceuticals,
and dyes. It is produced by lowpressure
hydrogenation of 3-chloronitrobenzene
in the liquid phase with noble metal and/or noble
metal sulfide catalysts. The addition of metal oxides
to 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 inhibito
rs. | | 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 |
|