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38762-41-3

38762-41-3 Structure

38762-41-3 Structure
IdentificationMore
[Name]

4-Bromo-2-chloroaniline
[CAS]

38762-41-3
[Synonyms]

4-BROMO-2-CHLOROANILINE
4-Bromo-2-chloroaniline 98%
4-BROMO-2-CHLOROANILINE, 98+%
Benzenamine, 4-bromo-2-chloro-
1-Amino-4-bromo-2-chlorobenzene
[EINECS(EC#)]

254-118-4
[Molecular Formula]

C6H5BrClN
[MDL Number]

MFCD00007660
[Molecular Weight]

206.47
[MOL File]

38762-41-3.mol
Chemical PropertiesBack Directory
[Appearance]

SLIGHTLY YELLOW TO LIGHT BROWN CRYSTALLINE POWDER
[Melting point ]

70-72 °C (lit.)
[Boiling point ]

241.8±20.0 °C(Predicted)
[density ]

1.6567 (rough estimate)
[refractive index ]

1.5400 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Crystalline Powder
[pka]

1.95±0.10(Predicted)
[color ]

Slightly yellow to light brown
[BRN ]

3117740
[InChI]

InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
[InChIKey]

INMZDDDQLHKGPF-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(Br)C=C1Cl
[CAS DataBase Reference]

38762-41-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H302+H312+H332-H302-H311-H332
[Precautionary statements ]

P280-P280h-P302+P352-P309-P310-P261-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
[Hazard Codes ]

Xn,T,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R20/21:Harmful by inhalation and in contact with skin .
[Safety Statements ]

S36:Wear suitable protective clothing .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

IRRITANT
[HS Code ]

29214200
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromo-2-chloroaniline(38762-41-3).msds
Hazard InformationBack Directory
[Chemical Properties]

SLIGHTLY YELLOW TO LIGHT BROWN CRYSTALLINE POWDER
[Uses]

4-Bromo-2-chloroaniline was used in the peparation of 3,4-dichloro-α-trichloromethylbenzyl alcohol.
[Synthesis]

2-Chloroaniline

95-51-2

4-Bromo-2-chloroaniline

38762-41-3

The general procedure for the synthesis of 4-bromo-2-chloroaniline from o-chloroaniline was as follows: 254 mg (2 mmol) of o-chloroaniline and 143 mg (1.2 mmol) of potassium bromide were dissolved in 10 mL of a solvent mixture of acetic acid (AcOH) and water (9:1, v/v), and the solution was subsequently transferred to a 50 mL three-neck flask. The reaction temperature was controlled by magnetic stirring at 25°C for 1 h in a thermostatic water bath with continuous stirring. Within the first 15 min of the start of the reaction, 1.8 g (1.8 mmol) of ZnAl-BrO3-LDHs was slowly added.After completion of the reaction, the reaction mixture was extracted with dichloromethane (2 × 10 mL) and the organic phases were combined. Two silica gels (200-300 mesh) were added to the combined organic phases, and the dichloromethane was subsequently removed by distillation under reduced pressure. Finally, purification was carried out using column chromatography (eluent was a solvent mixture of petroleum ether and ethyl acetate in a 10:1 ratio, v/v) to give 321 mg of gray solid product in 78% yield.

[References]

[1] Tetrahedron Letters, 2005, vol. 46, # 51, p. 8959 - 8963
[2] Russian Journal of Applied Chemistry, 2009, vol. 82, # 9, p. 1570 - 1576
[3] Chinese Chemical Letters, 2012, vol. 23, # 4, p. 387 - 390
[4] Monatshefte fur Chemie, 2013, vol. 144, # 2, p. 179 - 181
[5] Journal of the Iranian Chemical Society, 2012, vol. 9, # 3, p. 321 - 326
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-2-chloroaniline(38762-41-3)MS
4-Bromo-2-chloroaniline(38762-41-3)1HNMR
4-Bromo-2-chloroaniline(38762-41-3)13CNMR
4-Bromo-2-chloroaniline(38762-41-3)IR1
4-Bromo-2-chloroaniline(38762-41-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromo-2-chloroaniline, 99%(38762-41-3)
[Alfa Aesar]

4-Bromo-2-chloroaniline, 98+%(38762-41-3)
[Sigma Aldrich]

38762-41-3(sigmaaldrich)
[TCI AMERICA]

4-Bromo-2-chloroaniline,>98.0%(GC)(38762-41-3)
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