Basic information
- CAS
954124-92-6- Standard SMILES
COc1c(C)cc(Br)cc1CO- InChIKey
JVGBLWPQHTYOLV-UHFFFAOYSA-N- Molecular formula
- C9H11BrO2
- Average molar mass
- 231.09 g/mol
- Monoisotopic mass
- 229.99424169
Names & identifiers
- Preferred name
- (5-Bromo-2-methoxy-3-methylphenyl)methanol
- IUPAC
- (5-bromo-2-methoxy-3-methylphenyl)methanol
- English name
- (5-Bromo-2-methoxy-3-methylphenyl)methanol
- Molecular formula
- C9H11BrO2
- Molecular weight
- 231.09
Names & synonyms
(5-bromo-2-methoxy-3-methylphenyl)methanol954124-92-65-bromo-2-methoxy-3-methylBenzenemethanolMFCD11040229(5-Bromo-2-methoxy-3-methylphenyl)?methanolSCHEMBL3598495JVGBLWPQHTYOLV-UHFFFAOYSA-NDTXSID801272402AB87960DB-080226CS-0193855(5-bromo-2-methoxy-3-methyl-phenyl)methanol
Show more names
Benzenemethanol, 5-bromo-2-methoxy-3-methyl-
E90388F631450SCHEMBL3598495, JVGBLWPQHTYOLV-UHFFFAOYSA-N, AKOS024100390, 5-bromo-2-methoxy-3-methylBenzenemethanol, (5-bromo-2-methoxy-3-methylphenyl)methanol, DB-080226, 954124-92-6
Database identifiers
- CAS
954124-92-6- PubChem CID
- 58993702
- DTXSID
DTXSID801272402
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 308.6 · 308.6±37.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 14.14 · 14.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers5 total
苏州施亚生物科技有限公司17715136450 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
米诺化工有限公司0086-15313090952
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
4 records
Compound notes
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