4-Bromo-3,5-dichloro-benzoic acid methyl ester

HCID 50849686

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Basic information

CAS: 117738-81-5
Standard SMILES: COC(=O)c1cc(Cl)c(Br)c(Cl)c1
InChIKey: OLCZJLAQCXIXNW-UHFFFAOYSA-N
Molecular formula: C8H5BrCl2O2
Average molar mass: 283.93 g/mol
Monoisotopic mass: 281.885

Names & identifiers

Preferred name: 4-Bromo-3,5-dichloro-benzoic acid methyl ester
IUPAC: methyl 4-bromo-3,5-dichlorobenzoate
English name: 4-Bromo-3,5-dichloro-benzoic acid methyl ester
Molecular formula: C8H5BrCl2O2
Molecular weight: 283.93

Names & synonyms

117738-81-54-Bromo-3,5-dichloro-benzoic acid methyl esterRefChem:519816898-698-2methyl 4-bromo-3,5-dichlorobenzoateMFCD14704248Benzoic acid, 4-bromo-3,5-dichloro-, methyl estermethyl 4-bromo-3,5-dichloro-benzoateSCHEMBL8336289OLCZJLAQCXIXNW-UHFFFAOYSA-Nmethyl4-bromo-3,5-dichlorobenzoateSEA73881

Show more names

AKOS005061384BS-14691SY316616CS-0150849METHYL-4-BROMO-3,5-DI CHLORO BEZOATEC71569EN300-172564F544299

Database identifiers

CAS: 117738-81-5
PubChem CID: 50849686
EC Number: 898-698-2

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 189

Physicochemical properties

Boiling point: 344.1 · 344.1±37.0 °C(Predicted)
Density: 1.695 · 1.695±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303-H320
Precautionary statements: 312 · P312-P264-P305+P351+P338-P337+P313

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.