2-Bromo-4-chloroanisole

HCID 521935

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 60633-25-2
Standard SMILES: COc1ccc(Cl)cc1Br
InChIKey: YJEMGEBDXDPBSP-UHFFFAOYSA-N
Molecular formula: C7H6BrClO
Average molar mass: 221.48 g/mol
Monoisotopic mass: 219.92905459

Names & identifiers

Preferred name: 2-Bromo-4-chloroanisole
IUPAC: 2-bromo-4-chloro-1-methoxybenzene
English name: 2-Bromo-4-chloroanisole
Molecular formula: C7H6BrClO
Molecular weight: 221.48

Names & synonyms

2-Bromo-4-chloroanisole60633-25-2DTXSID70334788RefChem:85711DTXCID20285877YJEMGEBDXDPBSP-UHFFFAOYSA-N2-Bromo-4-chloro-1-methoxybenzene2-bromo-4-chloro-1-methoxy-benzeneMFCD000797052-bromo4-chloroanisoleSCHEMBL9292742-Bromo-4-chloro-1-methoxybenzene #

Show more names

2-Bromo-4-chloroanis4-Chloro 2-BroMo Anisole2-Bromo-4-chloroanisole >2-Bromo-4-chloroanisole,98%2-BroMo-4-chloroanisole, 98% 25MLBenzene, 2- bromo- 4- chloro- 1- methoxy-2-Bromo-4-chloro-1-methoxybenzene, 2-Bromo-4-chlorophenyl methyl ether

AKOS000121084CS-W014730PS-7849SY016835B3111EN300-23993F10964Benzene, 2-bromo-4-chloro-1-methoxy-

Database identifiers

CAS: 60633-25-2
PubChem CID: 521935
DTXSID: DTXSID70334788
EC Number: 612-004-5
Nikkaji: J479.920H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 28.6 · 28.6-29.1°C
Boiling point: 122 · 122/20mm
Density: 1.625 · 1.625
vapor pressure: 8.7 Pa · 8.7Pa at 25℃
refractive index: 1.585 · 1.5850-1.5890
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Liquid
Specific Gravity: 1.61 · 1.61
color: Clear colorless to pale yellow
Henry's Law Constant: 1.8 · 1.8×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
CAS DataBase Reference: 60633 · 60633-25-2(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Bromo-4-chloroanisole(60633-25-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P280
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-51-22
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 29093090 · 29093090
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 10-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17341

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29093090
risk_code: 36/37/38-51-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P271-P280

Chemistry & industry

Applications

Uses2-Bromo-4-chloroanisole has been used as a reactant in the preparation of naphthyl phenyl ethers as nonnucleoside HIV-1 reverse transcriptase inhibitors.