p-Bromochlorobenzene
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Basic information
- CAS
106-39-8- Standard SMILES
Clc1ccc(Br)cc1- InChIKey
NHDODQWIKUYWMW-UHFFFAOYSA-N- Molecular formula
- C6H4BrCl
- Average molar mass
- 191.45 g/mol
- Monoisotopic mass
- 189.91849
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 propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- 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
LogP3.83
Density1.576 @ 71°C
Boiling Point196 °C @760 [mm Hg]
Melting Point68 °C
Vapor Pressure0.25 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemical: Benzene, 1-bromo-4-chloro-
REACH registered substance: 1-bromo-4-chlorobenzene (EC: 203-392-3)
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)
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
Related reactions
245 records
Compound notes
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