ChemicalBook--->CAS DataBase List--->634-93-5

634-93-5

634-93-5 Structure

634-93-5 Structure
IdentificationMore
[Name]

2,4,6-Trichloroaniline
[CAS]

634-93-5
[Synonyms]

1-Amino-2,4,6-trichlorobenzene
2,4,6-TRICHLOROANILINE
2,4,6-trichlorobenzenamine
2,4,6-tca
2,4,6-trichloraniline
2,4,6-trichloro-anilin
2,4,6-trichloro-benzenamin
2,4,6-Trichlorophenylamine
Aniline, 2,4,6-trichloro-
aniline,2,4,6-trichloro-
benzenamine,2,4,6-trichloro-
s-Trichloroaniline
sym-Trichloroaniline
2,4,6-TRICHLOROANILINE PESTANAL, 250 MG
2,4,6-Trichloroaniline, 98.50%
2,4,6-Trichloranilin
2,4,6-Trichloroaniline, 98+%
2,4,6-Trichloroanyline
2,4,6-Trichlorobenzeneamine
[EINECS(EC#)]

211-219-8
[Molecular Formula]

C6H4Cl3N
[MDL Number]

MFCD00007663
[Molecular Weight]

196.46
[MOL File]

634-93-5.mol
Chemical PropertiesBack Directory
[Appearance]

fine purple fibres
[Melting point ]

73-75 °C (lit.)
[Boiling point ]

262 °C (lit.)
[density ]

1.6807 (rough estimate)
[vapor pressure ]

0-0.631Pa at 25℃
[refractive index ]

1.6300 (estimate)
[Fp ]

262°C
[storage temp. ]

Storage temperature: no restrictions.
[solubility ]

0.039g/l slightly soluble
[form ]

neat
[pka]

0.07±0.10(Predicted)
[color ]

Needles or liquid from pet ether
[Stability:]

Stable, but may be light or air sensitive. Incompatible with acids, acid chlorides, acid anhydrides, chloroformates, strong oxidizing agents.
[Water Solubility ]

<0.1 g/100 mL at 21.5 ºC
[BRN ]

879568
[Henry's Law Constant]

7.4×100 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
[InChIKey]

NATVSFWWYVJTAZ-UHFFFAOYSA-N
[SMILES]

Nc1c(Cl)cc(Cl)cc1Cl
[LogP]

3.648-3.69 at 25℃
[CAS DataBase Reference]

634-93-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 2,4,6-trichloro-(634-93-5)
[EPA Substance Registry System]

634-93-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H400-H301-H311-H331-H373-H410
[Precautionary statements ]

P260-P280h-P301+P310a-P304+P340-P405-P501a-P261-P273-P280-P301+P310-P311-P501
[Hazard Codes ]

T,N
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
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 .
[RIDADR ]

UN 2811 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

BZ0250000
[Hazard Note ]

Toxic
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29214200
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 2
Skin Irrit. 2
Skin Sens. 1
[Hazardous Substances Data]

634-93-5(Hazardous Substances Data)
[Toxicity]

LD50 orl-rat: 2400 mg/kg GISAAA 55(6),86,90
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aniline
[Preparation Products]

1,3,5-Trichlorobenzene-->4-Amino-3,5-dichloroacetophenone-->2,2',4,4',6,6'-Hexachlorobiphenyl-->2,4,6-Trichloroiodobenzene-->1-Bromo-2,4,6-trichlorobenzene-->2,2',3,4,4',5,6,6'-Octachlorobiphenyl-->1,2,3,5-Tetrachlorobenzene-->2-azido-1,3,5-trichlorobenzene
Hazard InformationBack Directory
[General Description]

Long needles or fine, light purple fibers.
[Reactivity Profile]

2,4,6-TRICHLOROANILINE(634-93-5) is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizing agents. .
[Air & Water Reactions]

This compound may be sensitive to exposure to light and air. Insoluble in water.
[Fire Hazard]

Flash point data for this chemical are not available. 2,4,6-TRICHLOROANILINE is probably combustible.
[Description]

Trichloroaniline is particularly important as a chemical intermediate in manufacturing many benzene derivatives and other organic compounds. For instance, 2,4,6-trichloroaniline is an essential precursor of 1,3,5-trichlorobenzene. The latter has been extensively studied and developed for insecticides and fungicides. It, in turn, is a precursor of trichlorodinitrobenzene, which is especially important in combatting crop diseases and is an intermediate for dyestuffs. In military applications, 2,4,6-trichloroaniline is utilized for the preparation of insensitive energetic material that is employed in several Navy weapons systems. The synthesis of 2,4,6-trichloroaniline has almost invariably been accomplished by chlorinating aniline with chlorine or sulfuryl chloride.
[Chemical Properties]

fine purple fibres
[Uses]

Tetrachloronitrobenzene was prepared from 2:4:6-trichloroaniline,which was converted by a Sandmeyer reaction into 1:2:3:5- tetrachlorobenzene.
[Preparation]

2,4,6-Trichloroaniline can be prepared by reaction of dry aniline with chlorine gas while in a anhydrous solution of carbon tetrachloride. 2,4,6-Trichloroaniline precipitates from solution as a white solid. If water is introduced to the solution the white material will polymerize to form aniline black.
Process for the preparation of 2,4,6-trichloroaniline
[Safety Profile]

Moderately toxic by ingestion.Irritant. Questionable carcinogen with experimentalcarcinogenic data. Mutation data reported. When heatedto decomposition it emits very toxic fumes of Clí andNOx.
[Purification Methods]

Crystallise the aniline from ligroin. The benzoyl derivative has m 174o (from EtOH). [Beilstein 12 H 627, 12 IV 1281.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,4,6-Trichloroaniline(634-93-5).msds
Questions And AnswerBack Directory
[Genotoxicity]

Limited information is available regarding the potential genotoxicity of 2,4,6-trichloroaniline. 2,4,6-Trichloroaniline did not induce mutations in Salmonella typhimurium strains TA98, TA100, or TA1537 in the presence or absence of metabolic activation in plate-incorporation assays; microsomal-suspension assays using the same strains and metabolic-activation preparations were also negative. However, using the preincubation method, 2,4,6-trichloroaniline tested positive for mutagenicity in Salmonella and Escherichia coli (strains not specified). 2,4,6-Trichloroaniline tested negative in the Salmonella umu (SOS response) assay and failed to induce DNA repair in rat hepatocytes. In vivo, 2,4,6-trichloroaniline was mutagenic in the wing spot test in Drosophila. Rats treated orally with 2,4,6-trichloroaniline at 40 mg/kg-day (but not 0.4 or 4 mg/kg-day) for 6 months showed a small but statistically significant increase (p < 0.05) in the number of bone marrow cells containing chromosomal aberrations when compared with controls (1.6% vs. 0.4%, respectively); however, this study did not provide any study design details.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-Trichloroaniline(634-93-5)MS
2,4,6-Trichloroaniline(634-93-5)1HNMR
2,4,6-Trichloroaniline(634-93-5)13CNMR
2,4,6-Trichloroaniline(634-93-5)IR1
2,4,6-Trichloroaniline(634-93-5)IR2
2,4,6-Trichloroaniline(634-93-5)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4,6-Trichloroaniline, 98.50%(634-93-5)
[Alfa Aesar]

2,4,6-Trichloroaniline, 98+%(634-93-5)
[Sigma Aldrich]

634-93-5(sigmaaldrich)
[TCI AMERICA]

2,4,6-Trichloroaniline,>98.0%(GC)(634-93-5)
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