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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20164708Generated: November 3, 2026

Methyl 2-bromo-3,4-dimethylbenzoate

https://huagongshe.com/en/chemical/20164708

Methyl 2-bromo-3,4-dimethylbenzoate molecular structure

Identifiers & Physical Properties

CAS No.1805594-38-0
Molecular formulaC10H11BrO2
Average molar mass243.1 g/mol
Monoisotopic mass241.99424 g/mol
SMILESCOC(=O)c1ccc(C)c(C)c1Br
InChIKeyDNUFRSWMGHFSJQ-UHFFFAOYSA-N
PubChem CID20164708
EC No.827-678-8

Chemical & Physical Properties

XLogP3.2
Topological polar surface area26.3
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds2
Heavy atoms13
Formal charge0
Complexity193

Safety & Regulations

GHS classificationWarningH302 (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 Classes and CategoriesAcute Tox. 4 (100%)