4-Bromo-2-chlorophenol

HCID 19859
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3964-56-5
Standard SMILES
Oc1ccc(Br)cc1Cl
InChIKey
VIBJPUXLAKVICD-UHFFFAOYSA-N
Molecular formula
C6H4BrClO
Average molar mass
207.45 g/mol
Monoisotopic mass
205.91340453

Overview

4-bromo-2-chlorophenol is a halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively. It is an organobromine compound, a halophenol and a member of monochlorobenzenes.

Names & identifiers

Preferred name
4-Bromo-2-chlorophenol
IUPAC
4-bromo-2-chlorophenol
English name
4-Bromo-2-chlorophenol
Molecular formula
C6H4BrClO
Molecular weight
207.45

Names & synonyms

4-BROMO-2-CHLOROPHENOL3964-56-52-Chloro-4-bromophenolPhenol, 4-bromo-2-chloro-DTXSID30192745994SJ34D8PCHEBI:38852RefChem:98064DTXCID70115236223-572-54-bromo-2-chloro-phenolMFCD00002166
Show more names
AKOS BBB/3674-Bromo-2-chL2-CHLORO-4-BROMO PHENOLPhenol,4-broMo-2-chloro-4-Bromo-2-chlorophenol,98%4-Bromo-2-chlorophenol,99%4-Bromo-2-chlorophenol 99%4-Bromo-2-chlorophenol >Phloroglucinol Impurity 235
Phenol, 4-bromochloro-UNII-994SJ34D8PPhenol, 4-bromo-2-chloro-; 4-Bromo-2-chlorophenol; 2-Chloro-4-bromophenolEINECS 223-572-54-bromo-chlorophenolSCHEMBL75671SCHEMBL486293SCHEMBL1096053

Database identifiers

CAS
3964-56-5
PubChem CID
19859
DTXSID
DTXSID30192745
ChEBI
CHEBI:38852
UNII
994SJ34D8P
EC Number
223-572-5
Nikkaji
J192I

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
47 · 47-49 °C (lit.)
Boiling point
232 · 232-235 °C (lit.)
Density
1.617 · 1.6170
refractive index
1.5859 · 1.5859
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98.7%): 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 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 3077 9/PG 3
hs_code
29081990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses4-Bromo-2-chlorophenol was used as reagent during the synthesis of 7-arylbenzo[b][1,4]oxazin derivatives.

General Description4-Bromo-2-chlorophenol is biologically inactive metabolite of profenofos, an organophosphorus pesticide. It undergoes enzyme-catalyzed copolymerization with phenols catalyzed by extracellular laccase of the fungus Rhizoctonia praticola.

Upstream & downstream products

Suppliers100 total

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: A halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively.

Related reactions

73 records
New reaction record

Compound notes

Loading…