2-Bromo-5-(1,1-dimethylethyl)benzenemethanol
Basic information
- CAS
875664-30-5- Standard SMILES
CC(C)(C)c1ccc(Br)c(CO)c1- InChIKey
NYILPGNROQEGKK-UHFFFAOYSA-N- Molecular formula
- C11H15BrO
- Average molar mass
- 243.14 g/mol
- Monoisotopic mass
- 242.03063
Names & identifiers
- Preferred name
- 2-Bromo-5-(1,1-dimethylethyl)benzenemethanol
- IUPAC
- (2-bromo-5-tert-butylphenyl)methanol
- English name
- 2-Bromo-5-(trifluoromethyl)benzyl alcohol
- Molecular formula
- C11H15BrO
- Molecular weight
- 243.14
Names & synonyms
875664-30-52-Bromo-5-(1,1-dimethylethyl)benzenemethanolBENZENEMETHANOL,2-BROMO-5-(1,1-DIMETHYLETHYL)-(2-Bromo-5-(tert-butyl)phenyl)methanol(2-bromo-5-tert-butylphenyl)methanolAKOS0159953672-Bromo-5-(tert-butyl)benzyl alcoholBenzenemethanol, 2-bromo-5-(1,1-dimethylethyl)-
Database identifiers
- CAS
875664-30-5- PubChem CID
- 66545375
- EC Number
- 642-534-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 69 · 69-71°C
- Boiling point
- 303 ℃ · 303℃
- Density
- 1.306 · 1.306
- Flash point
- 137 ℃ · 137℃
- CAS DataBase Reference
- 875664 · 875664-30-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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