CAS 444663-80-3 Methyl 3,5-dibromo-4-(bromomethyl)benzoate (HCID 22647948)

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Basic information

CAS: 444663-80-3
Standard SMILES: COC(=O)c1cc(Br)c(CBr)c(Br)c1
InChIKey: CHYJSLZNYDHTHE-UHFFFAOYSA-N
Molecular formula: C9H7Br3O2
Average molar mass: 386.86 g/mol

Names & identifiers

Preferred name: Methyl 3,5-dibromo-4-(bromomethyl)benzoate
IUPAC: methyl 3,5-dibromo-4-(bromomethyl)benzoate

Names & synonyms

444663-80-3Methyl 3,5-dibromo-4-(bromomethyl)benzoateMethyl 4-(Bromomethyl)-3,5-dibromobenzoateSCHEMBL1176230CHYJSLZNYDHTHE-UHFFFAOYSA-NDA-05790methyl 4bromomethyl-3,5-dibromo-benzoatemethyl-4-bromomethyl-3,5-dibromo-benzoateF950033,5-Dibromo-4-bromomethyl-benzoic acid methyl ester

Database identifiers

CAS: 444663-80-3
PubChem CID: 22647948
EC Number: 185-950-5

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 198

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.