Basic information
- CAS
91506-05-7- Standard SMILES
COc1c(C)cc(Br)cc1Cl- InChIKey
YSTRJVIMBHPGBW-UHFFFAOYSA-N- Molecular formula
- C8H8BrClO
- Average molar mass
- 235.5 g/mol
- Monoisotopic mass
- 233.94470466
Names & identifiers
- Preferred name
- 4-Bromo-2-chloro-6-methylanisole
- IUPAC
- 5-bromo-1-chloro-2-methoxy-3-methylbenzene
- English name
- 4-bromo-2-chloro-6-methylanisole
- Molecular formula
- C8H8BrClO
- Molecular weight
- 235.51
Names & synonyms
5-bromo-1-chloro-2-methoxy-3-methylbenzene91506-05-74-Bromo-2-chloro-6-methylanisoleMFCD11848451EINECS 293-839-9SCHEMBL931631DTXSID40238603DB-316304CS-0193123NS000393995-bromo-1-chloro-2-methoxy-3-methyl-benzeneE90621
Show more names
Benzene, 5-bromo-1-chloro-2-methoxy-3-methyl-
A1-07296
Database identifiers
- CAS
91506-05-7- PubChem CID
- 3021834
- DTXSID
DTXSID40238603- EC Number
- 293-839-9
- Nikkaji
- J333.368J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 0.9 Torr)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
Loading…