ChemicalBook--->CAS DataBase List--->626-43-7

626-43-7

626-43-7 Structure

626-43-7 Structure
IdentificationMore
[Name]

3,5-Dichloroaniline
[CAS]

626-43-7
[Synonyms]

3,5 DICHLORANILINE
3,5-DICHLOROANILINE
3,5-DICHLORO BENZENAMINE
AKOS BBS-00003558
DICHLOROANILINE(3,5)
LABOTEST-BB LTBB000733
TIMTEC-BB SBB008349
3,5-DCA
3,5-dichloro
3,5-dichloro-anilin
3,5-dichloro-benzenamin
Aniline, 3,5-dichloro-
Benzenamine,3,5-dichloro-
BF352-31
m-Dichloroaniline
2,6-DICHLOROBENZOIC ACID PESTANAL
3,5-Dichloroaniline,DCA
3,5-Dichloroaniline,98%
1-AMINO-3,5-DICHLORO-BENZENE
DICHLORO-3,5-ANILINE
[EINECS(EC#)]

210-948-9
[Molecular Formula]

C6H5Cl2N
[MDL Number]

MFCD00007774
[Molecular Weight]

162.02
[MOL File]

626-43-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to brown crystals
[Melting point ]

46-52 °C (lit.)
[Boiling point ]

259-260 °C/741 mmHg (lit.)
[density ]

1.58
[vapor pressure ]

40 hPa ( 150 °C)
[refractive index ]

1.6000 (estimate)
[Fp ]

>230 °F
[storage temp. ]

0-6°C
[solubility ]

0.78g/l
[form ]

crystalline
[pka]

pK1:2.37(+1) (25°C)
[color ]

dark gray
[Water Solubility ]

0.6 g/L (26 ºC)
[Detection Methods]

GC,NMR
[BRN ]

636492
[Henry's Law Constant]

6.2×100 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
[InChIKey]

UQRLKWGPEVNVHT-UHFFFAOYSA-N
[SMILES]

Nc1cc(Cl)cc(Cl)c1
[LogP]

2.9 at 20-25℃
[CAS DataBase Reference]

626-43-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 3,5-dichloro-(626-43-7)
[EPA Substance Registry System]

626-43-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

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

P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
[Hazard Codes ]

T,N,Xi
[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 3442 6.1/PG 2
[WGK Germany ]

3
[F ]

8
[Autoignition Temperature]

620°C
[Hazard Note ]

Irritant
[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
STOT RE 2
[Hazardous Substances Data]

626-43-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Nitroaniline-->1,2-Dichlorobenzene-->2-Nitroaniline-->2,6-Dichloro-4-nitroaniline-->2,6-Dichloroaniline-->p-Dichlorobenzene-->1,3,5-Trichlorobenzene-->3,5-Dichloronitrobenzene-->2,4-DICHLORO-6-NITROANILINE-->1-Bromo-3,5-dichlorobenzene
[Preparation Products]

Chlorfluazuron-->1-(3,5-DICHLOROPHENYL)PIPERAZINE-->Iprodione-->Procymidone-->Teflubenzuron-->VINCLOZOLIN-->2,4-Difluoro-3,5-dichloroaniline-->Dimethachlon-->3,5-Dichlorophenyl isocyanate-->3,5-Dichlorobenzonitrile-->QUINOXYFEN-->3,3',5,5'-TETRACHLOROBIPHENYL-->COH-SR4 (Mitochondria uncoupler SR4)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dichloroaniline(626-43-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to brown crystals
[Uses]

Dichlorobenzenamine is used in the synthesis of effective inhibitors of plant δ1-pyrroline-4-carboxylate reductase. Also used in the preparation of anti-tumor agents based upon diaryl urea derivatives.
[Application]

3,5-Dichloroaniline is used in the production of pesticides, dyes and pharmaceuticals. 3,5-Dichloroaniline is an intermediate in the production of fungicides fumonisin, isoxaflutole, vinblastine and myclobutanil.
[Definition]

ChEBI: 3,5-dichloroaniline is a dichloroaniline.
[Preparation]

synthesis of 3,5-Dichloroaniline: Add 25% hydrochloric acid and o-nitroaniline in the reaction kettle, turn on the stirring, pass chlorine gas for chlorination at 10-20℃ and negative pressure, after passing chlorine gas, continue to stir for 15min, then filter, and wash the filter cake with water to neutral, that is, 2,4-dichloro-6-nitroaniline.
In another reaction kettle add industrial ethanol, under stirring, then add 2,4-dichloro-6-nitroaniline, add 95% H2SO4 below 40°C, cool to 15°C, add sodium nitrite in batches, after adding sodium nitrite, continue to hold the reaction at 15°C for 4h, then put the material into denitration kettle, slowly heat to reflux temperature 80°C and keep reflux for 2h, then raise the temperature to evaporate ethanol, and then distill the ethanol. Liquid material into the distillation kettle for water distillation, distillation of the resulting oil and water material for stratification, to obtain 3,5-dichloronitrobenzene.
Put a certain amount of water and 3,5-dichloronitrobenzene in the reaction kettle, raise the temperature to reflux under stirring, add a certain concentration of sodium disulfide solution drop by drop in 1h, and keep reflux for 3h, rest stratification, the lower layer of oily material washed with hot water to obtain 3,5-dichloroaniline.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dichloroaniline(626-43-7)MS
3,5-Dichloroaniline(626-43-7)1HNMR
3,5-Dichloroaniline(626-43-7)13CNMR
3,5-Dichloroaniline(626-43-7)IR1
3,5-Dichloroaniline(626-43-7)IR2
3,5-Dichloroaniline(626-43-7)IR3
3,5-Dichloroaniline(626-43-7)Raman
3,5-Dichloroaniline(626-43-7)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dichloroaniline, 98%(626-43-7)
[Alfa Aesar]

3,5-Dichloroaniline, 98%(626-43-7)
[Sigma Aldrich]

626-43-7(sigmaaldrich)
[TCI AMERICA]

3,5-Dichloroaniline,>98.0%(GC)(626-43-7)
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