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ChemicalBook--->CAS DataBase List--->95-76-1

95-76-1

95-76-1 Structure

95-76-1 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack Directory
[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
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29214210
[Hazardous Substances Data]

95-76-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack 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 InformationBack 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.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Dichlorobenzenamine(95-76-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Dichloroaniline(95-76-1)MS
3,4-Dichloroaniline(95-76-1)1HNMR
3,4-Dichloroaniline(95-76-1)13CNMR
3,4-Dichloroaniline(95-76-1)IR1
3,4-Dichloroaniline(95-76-1)IR2
3,4-Dichloroaniline(95-76-1)IR3
3,4-Dichloroaniline(95-76-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Dichloroaniline, 98%(95-76-1)
[Alfa Aesar]

3,4-Dichloroaniline, 98%(95-76-1)
[Sigma Aldrich]

95-76-1(sigmaaldrich)
[TCI AMERICA]

3,4-Dichloroaniline,>98.0%(GC)(95-76-1)
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