2-Bromo-5-methoxy-1,3-dimethylbenzene

HCID 235992

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6267-34-1
Standard SMILES: COc1cc(C)c(Br)c(C)c1
InChIKey: RAWZVIWEDAGMPW-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99933

Names & identifiers

Preferred name: 2-Bromo-5-methoxy-1,3-dimethylbenzene
IUPAC: 2-bromo-5-methoxy-1,3-dimethylbenzene
English name: 4-Bromo-3,5-dimethylanisole
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

2-bromo-5-methoxy-1,3-dimethylbenzene6267-34-1DTXSID00284601RefChem:85776DTXCID80235752613-069-2InChI=1/C9H11BrO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H4-Bromo-3,5-dimethylanisoleMFCD00461692benzene, 2-bromo-5-methoxy-1,3-dimethyl-4-bromo-3,5-dimethylphenyl methyl ether2-bromo-5-methoxy-1,3-dimethyl-benzene

Show more names

1063192-chloro-5-methoxy-1,3-dimethylbenzene

NSC37991SCHEMBL701066RAWZVIWEDAGMPW-UHFFFAOYSA-NNSC 37991NSC-37991SBB095064AKOS004907337CS-W021621

Database identifiers

CAS: 6267-34-1
PubChem CID: 235992
DTXSID: DTXSID00284601
EC Number: 613-069-2
Nikkaji: J606.100A

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: 24 · 24-25 °C
Boiling point: 137 · 137-139 °C(Press: 20 Torr)
Density: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
Appearance: 36 °C · White to light brown 36°C Liquid
InChI: 1S/C9H11BrO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChIKey: RAWZVIWEDAGMPW-UHFFFAOYSA-N
SMILES: BrC1=C(C)C=C(OC)C=C1C
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P