| Identification | More | [Name]
3,4-Dichloroaniline | [CAS]
95-76-1 | [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 | [EINECS(EC#)]
202-448-4 | [Molecular Formula]
C6H5Cl2N | [MDL Number]
MFCD00007768 | [Molecular Weight]
162.02 | [MOL File]
95-76-1.mol |
| Chemical Properties | Back Directory | [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 | Back Directory | [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. | [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) . | [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 | Back Directory | [Raw materials]
Chlorine-->Hydrogen-->Ferric chloride-->1,2-Dichlorobenzene-->4-Chloronitrobenzene-->3,4-Dichloronitrobenzene | [Preparation Products]
3,4-DICHLORO-N-METHYLANILINE-->Propanil-->Diuron-->1-(3,4-Dichlorophenyl)piperazine-->Isocyanic acid 3,4-dichlorophenyl ester-->2-AMINO-5,6-DICHLOROBENZOIC ACID-->SWEP-->5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile-->CHLORANOCRYL-->1-(3,4-DICHLOROPHENYL)-3-METHYL UREA-->3-(3,4-DICHLOROPHENYL)PROPIONIC ACID-->6-AMINO-2H-1,4-BENZOXAZIN-3(4H)-ONE-->1-(3,4-DICHLOROPHENYL)-2-THIOUREA-->3,3',4,4'-TETRACHLOROAZOBENZENE-->5,6-Dichloro-2-benzothiazolamine-->5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile-->C.I. Disperse Yellow 58 |
| Hazard Information | Back Directory | [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.] |
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Alfa Aesar
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