3-(Bromomethyl)-5-methylphenyl acetate
Basic information
- CAS
62358-68-3- Standard SMILES
CC(=O)Oc1cc(C)cc(CBr)c1- InChIKey
PNDWCHUISBCRIV-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-5-methylphenyl acetate
- IUPAC
- [3-(bromomethyl)-5-methylphenyl] acetate
Names & synonyms
62358-68-33-(Bromomethyl)-5-methylphenyl acetateRefChem:494454824-479-8Phenol, 3-(bromomethyl)-5-methyl-, 1-acetate[3-(bromomethyl)-5-methylphenyl] acetateSCHEMBL10218911EN300-1723775
Database identifiers
- CAS
62358-68-3- PubChem CID
- 12293126
- EC Number
- 824-479-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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