ChemicalBook CAS DataBase List 95-76-1

95-76-1

Name	3,4-Dichloroaniline
CAS	95-76-1
EINECS(EC#)	202-448-4
Molecular Formula	C6H5Cl2N
MDL Number	MFCD00007768
Molecular Weight	162.02
MOL File	95-76-1.mol

Synonyms

1-AMINO-3,4-DICHLORO-BENZENE 3,4-dca 3，4-Dichloroanihne 3,4-DICHLOROANILINE 3,4-dichlorobenzenamine 3,4-DICHLOROPHENYLAMINE AKOS BBS-00003672 LABOTEST-BB LTBB000652 3,4-Dichloranilin 3,4-Dichloraniline 3,4-Dichloroanaline 3,4-dichloro-anilin 3,4-dichloro-benzenamin 4,5-Dichloroaniline Aniline, 3,4-dichloro- 3,4-DICHLOROANILINE PESTANAL 3,4-Dichloroaniline,>98% 3,4-DichloroAniline(3,4-Dca)99.5% Benzenamine, 3,4-dichloro- 3,4-DICHLOROBENZAMINE

Chemical Properties

Appearance	brown solid
Melting point	69-71 °C(lit.)
Boiling point	272 °C(lit.)
density	1,34 g/cm³
vapor pressure	97.5Pa at 78℃
refractive index	1.6140 (estimate)
Fp	166 °C
storage temp.	0-6°C
solubility	0.73g/l
form	Crystalline Mass and/or Chunks
pka	2.90±0.10(Predicted)
color	Beige to brown
PH	7.1 (0.8g/l, H2O)
Stability:	Stable, but darkens in storage. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
Water Solubility	0.06 g/100 mL
Merck	14,3054
BRN	636837
Henry's Law Constant	6.8×10^-1 mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
InChI	1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey	SDYWXFYBZPNOFX-UHFFFAOYSA-N
SMILES	Nc1ccc(Cl)c(Cl)c1
LogP	2.68 at 20℃
CAS DataBase Reference	95-76-1(CAS DataBase Reference)
NIST Chemistry Reference	Benzenamine, 3,4-dichloro-(95-76-1)
Storage Precautions	Light sensitive
EPA Substance Registry System	95-76-1(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS06,GHS09
Signal word	Danger
Hazard statements	H301+H311+H331-H317-H318-H410
Precautionary statements	P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
Hazard Codes	T,N
Risk Statements	R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R41:Risk of serious damage to eyes. R43:May cause sensitization by skin contact. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R33:Danger of cumulative effects. less more
Safety Statements	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 . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S36/37:Wear suitable protective clothing and gloves . S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . less more
RIDADR	UN 3442 6.1/PG 2
WGK Germany	3
RTECS	BX2625000
F	8
TSCA	Yes
REACH Registrations	Active
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. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Skin Sens. 1
Hazardous Substances Data	95-76-1(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Light tan to dark gray crystals or brown solid. Melting point 71-72°C.

Reactivity Profile

3,4-DICHLOROANILINE(95-76-1) is incompatible with oxidizing agetns, acids, acid chlorides and acid anhydrides. 3,4-DICHLOROANILINE(95-76-1) can decompose at low pH. Hydrochloric acid accelerates decomposition. Reacts at temperatures above 356°F in the presence of ferric chloride .

Air & Water Reactions

Sensitive to prolonged exposure to heat, light and air. Darkens in storage. Insoluble in water.

Fire Hazard

This chemical is combustible.

Description

3,4-Dichloroaniline, 1-amino- 3,4- dichlorobenzene, is a gray to dark-brown crystalline solid at room temperature. It is used as an intermediate for pesticides and dyes and is produced by catalytic hydrogenation of 3,4-dichloronitrobenzene with noble metal catalysts under pressure. Various types of additives prevent dehalogenation during production and reactors must be fabricated with special steel alloys to inhibit corrosion .

Chemical Properties

brown solid

Uses

3,4-Dichloroaniline is used in the preparation of the herbicide propanil (P760840).

Definition

ChEBI: A dichloroaniline having the two chloro-substituents at the 3- and 4-positions.

Preparation

3,4-Dichloroaniline is produced by catalytic hydrogenation of 3,4-dichloronitrobenzene with noble metal catalysts under pressure. Various types of additives prevent dehalogenation during production and reactors must be fabricated with special steel alloys to inhibit corrosion.

Metabolic pathway

The basidiomycete Filoboletus sp. TA9054 metabolizes 3,4-dichloroaniline and forms several condensation products on solid media and in liquid culture, and no oligomers are produced. Six metabolites are identified as 3,3'-4,4'- tetrachloroazobenzene, 4-(3,4-dichloroanilino)-3,3',4' - trichloroazobenzene, 4-[(3,4-dichloroanilino)-4-(3,4- dichloroanilino)]-3,3'4'-trichloroazobenzene, 2-(3,4- dichloroanilino)-N-(3,4-dichlorophenyl)-4- (chlorophenylene), 6-(3,4-dichloroanilino)-N-(3,4- dichlorophenyl)-4-(chlorophenylene), and 3,5-bis(3,4- dichloroanilino)-1,4-chlorobenzoquinone.

Purification Methods

Crystallise the aniline from MeOH. [Beilstein 12 IV 1257.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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