p-Bromochlorobenzene (HCID 7806)

Names & identifiers

Preferred name: p-Bromochlorobenzene
IUPAC: 1-bromo-4-chlorobenzene
English name: 4-Bromochlorobenzene
Molecular formula: C6H4BrCl
Molecular weight: 191.45

Names & synonyms

1-Bromo-4-chlorobenzene106-39-84-BROMOCHLOROBENZENE4-Chlorobromobenzenep-Bromochlorobenzenep-Chlorobromobenzenep-Chlorophenyl bromide4-Chlorophenyl bromideBenzene, 1-bromo-4-chloro-1-Chloro-4-bromobenzene4-Chloro-1-bromobenzene4-bromo-1-chlorobenzene

Show more names

1,4-BROMOCHLOROBENZENE4-BromochL4-BroMochlorBroMo-chloro-4-Bromchlorbenzoln-Butyl linolenate

p-Bromophenyl chlorideNSC 17587Bromochlorobenzene, p-LXY3B1SO4FEINECS 203-392-3AI3-153134-chlorobenzene bromideNSC-17587

Database identifiers

CAS: 106-39-8
PubChem CID: 7806
DTXSID: DTXSID4059338
UNII: LXY3B1SO4F
EC Number: 203-392-3
Nikkaji: J46.977G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 66.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesBoiling point

Density1.576 @ 71°C

Boiling Point196 °C @760 [mm Hg]

Melting Point68 °C

Vapor Pressure0.25 [mmHg]

Physicochemical properties

Melting point: 64 · 64-67 °C(lit.)
Boiling point: 196 °C · 196 °C(lit.)
Density: 1.651 · 1.651
refractive index: 1 · 1,496-1,498
Flash point: 196 °C · 196°C
storage temp.: Inert atmosphere,Room Temperature
solubility: 0.045 g/l · 0.045g/l
form: Crystalline Powder
color: White to almost white
Water Solubility: insoluble
BRN: 1099014 · 1099014
Henry's Law Constant: 6.8 · 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 · 106-39-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 B1SO4F · LXY3B1SO4F
NIST Chemistry Reference: 1 · 1-Bromo-4-chlorobenzene(106-39-8)
EPA Substance Registry System: p-Bromoclorobenzene (106-39-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 315 · H315-H319-H301-H335
Precautionary statements: 280 h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn,T,F
Risk Statements: 36 · 36/37/38-20/22-39/23/24/25-23/24/25-11
Safety Statements: 26 · 26-36-37/39-37-45-36/37-16-7
RIDADR: 1230 · UN 1230 3/PG 2
WGK Germany: 3 · 3
RTECS: 9006000 · CY9006000
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
HS Code: 29036990 · 29036990
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzene, 1-bromo-4-chloro-

Status: Active Update: 03-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19203

Benzene, 1-bromo-4-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Bromobenzyl bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: CY9006000
ridadr: UN 1230 3/PG 2
hs_code: 29036990
risk_code: 36/37/38-20/22-39/23/24/25-23/24/25-11
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi,Xn,T,F
hazard_note: Irritant
safety_code: 26-36-37/39-37-45-36/37-16-7
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H301-H335
REACH Registrations: Active
Precautionary statements: P280h-P305+P351+P338-P309-P310-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-bromo-4-chloro-: ACTIVE

Applications

Uses1-Bromo-4-chlorobenzene is used as a pharmaceutical intermediate.

Upstream & downstream products

Downstream products

4-Chloro-N-methylaniline 4-(4-CHLOROBENZOYL)PYRIDINE 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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

盐城市胜达化工有限公司0515-83072966 13016507129

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

245 records

New reaction record

HRID 28263As reactantuspto-grants-1980_09

HRID 65233As reactantuspto-grants-1986_09

HRID 80062As reactantuspto-grants-2014_09

HRID 85924As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 86975As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 95230As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99169As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information