ChemicalBook--->CAS DataBase List--->106-39-8

106-39-8

106-39-8 Structure

106-39-8 Structure
IdentificationMore
[Name]

4-Bromochlorobenzene
[CAS]

106-39-8
[Synonyms]

1,4-BROMOCHLOROBENZENE
1-BROMO-4-CHLOROBENZENE
4-BROMOCHLOROBENZENE
4-CHLOROBROMOBENZENE
P-BROMOCHLOROBENZENE
P-CHLOROBROMOBENZENE
1-bromo-4-chloro-benzen
1-Chloro-4-bromobenzene
4-Bromchlorbenzol
4-Bromo-1-chlorobenzene
4-Chloro-1-bromobenzene
4-Chlorophenyl bromide
4-chlorophenylbromide
Benzene, 1-bromo-4-chloro-
Benzene,1-bromo-4-chloro-
benzene,4-chlorobromo-
p-Bromophenyl chloride
p-bromophenylchloride
p-Chlorophenyl bromide
p-chlorophenylbromide
[EINECS(EC#)]

203-392-3
[Molecular Formula]

C6H4BrCl
[MDL Number]

MFCD00000600
[Molecular Weight]

191.45
[MOL File]

106-39-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to almost white crystalline powder
[Melting point ]

64-67 °C(lit.)
[Boiling point ]

196 °C(lit.)
[density ]

1.651
[refractive index ]

1,496-1,498
[Fp ]

196°C
[storage temp. ]

2-8°C
[solubility ]

0.045g/l
[form ]

Crystalline Powder
[color ]

White to almost white
[Water Solubility ]

insoluble
[BRN ]

1099014
[Henry's Law Constant]

6.8×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[InChI]

1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H
[InChIKey]

NHDODQWIKUYWMW-UHFFFAOYSA-N
[SMILES]

Clc1ccc(Br)cc1
[CAS DataBase Reference]

106-39-8(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Bromo-4-chlorobenzene(106-39-8)
[EPA Substance Registry System]

106-39-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H315-H319-H301-H335
[Precautionary statements ]

P280h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi,Xn,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/22:Harmful by inhalation and if swallowed .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S37:Wear suitable gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 1230 3/PG 2
[WGK Germany ]

3
[RTECS ]

CY9006000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[HS Code ]

29036990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-(4-Chlorobenzoyl)pyridine-->4-Chloro-N-methylaniline-->4-Bromophenoxybenzene-->4-Chloro-alpha-methylstyrene-->N,N-Diethyl-1,4-phenylenediamine-->4,4'-DDM-->Propiolic acid, (p-chlorophenyl)- (8CI)-->4-(4-Chlorobenzyl)pyridine-->4,4'-Dichloro-alpha-methylbenzhydrol-->4-Chlorodiphenyl ether-->5-Bromo-2-chloro-benzoyl chloride-->9-[4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1'-biphenyl]-3-yl]-9H-carbazole-->5-(4-Chlorophenyl)-2-furaldehyde-->Bis(4-chlorophenyl)phosphine oxide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromochlorobenzene(106-39-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white to almost white crystalline powder
[Uses]

1-Bromo-4-chlorobenzene is used as a pharmaceutical intermediate.
[Application]

1-Bromo-4-chlorobenzene is a cyclohexane derivative that has inhibitory properties. It reacts with 4-tert-butylbenzoic acid, hydrochloric acid and metathesis reactions with halides to form 1,2,3-triazoles. It is a molecule that emits light when heated to 300 °C in vitro. The carbonyl group on the ring of this molecule is responsible for the light emission when heated at high temperatures. It has been used as an analytical method for determining the concentration of nitrite ion in solution by measuring its light emission.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 86, p. 964, 1964 DOI: 10.1021/ja01059a073
The Journal of Organic Chemistry, 55, p. 3415, 1990 DOI: 10.1021/jo00297a087
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromochlorobenzene(106-39-8)MS
4-Bromochlorobenzene(106-39-8)1HNMR
4-Bromochlorobenzene(106-39-8)13CNMR
4-Bromochlorobenzene(106-39-8)IR1
4-Bromochlorobenzene(106-39-8)IR2
4-Bromochlorobenzene(106-39-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromochlorobenzene, 99%(106-39-8)
[Alfa Aesar]

1-Bromo-4-chlorobenzene, 98+%(106-39-8)
[Sigma Aldrich]

106-39-8(sigmaaldrich)
[TCI AMERICA]

1-Bromo-4-chlorobenzene,>99.0%(GC)(106-39-8)
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