Basic information
- CAS
1805594-38-0- Standard SMILES
COC(=O)c1ccc(C)c(C)c1Br- InChIKey
DNUFRSWMGHFSJQ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- Methyl 2-bromo-3,4-dimethylbenzoate
- IUPAC
- methyl 2-bromo-3,4-dimethylbenzoate
Names & synonyms
Methyl 2-bromo-3,4-dimethylbenzoate1805594-38-0RefChem:814171827-678-8starbld0021709SCHEMBL23354548FXC59438EN300-6486454
Database identifiers
- CAS
1805594-38-0- PubChem CID
- 20164708
- EC Number
- 827-678-8
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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