CAS 27007-53-0 Methyl 2-Bromo-5-chlorobenzoate (HCID 280500)

Substructure search Find similar structures

Basic information

CAS: 27007-53-0
Standard SMILES: COC(=O)c1cc(Cl)ccc1Br
InChIKey: BIECSXCXIXHDBC-UHFFFAOYSA-N
Molecular formula: C8H6BrClO2
Average molar mass: 249.49 g/mol
Monoisotopic mass: 247.92396921

Names & identifiers

Preferred name: Methyl 2-Bromo-5-chlorobenzoate
IUPAC: methyl 2-bromo-5-chlorobenzoate
English name: Methyl 2-bromo-5-chlorobenzoate
Molecular formula: C8H6BrClO2
Molecular weight: 249.49

Names & synonyms

Methyl 2-Bromo-5-chlorobenzoateDTXSID70299702RefChem:814214DTXCID10250837640-830-627007-53-02-Bromo-5-chlorobenzoic Acid Methyl EsterMFCD00144763METHYL2-BROMO-5-CHLOROBENZOATEBenzoic acid, 2-bromo-5-chloro-, methyl esterNSC132246SCHEMBL852809

Show more names

Methylz-Bromo-5-ChlorobenzoateMethyl2-Bromo-5-chlorobenzoate>Methyl 2-bromo-5-chlorobenzoate 98%2-bomo-5-chlorobenzoic acid methyl ester2-Bromine-5-Chloride Benzioc Acids Methyl

methyl-2-bromo-5-chlorobenzoatemethyl 2-bromo-5-chloro-benzoateCL8528SBB068775AKOS005257845CS-W007971FB55230NSC-132246

Database identifiers

CAS: 27007-53-0
PubChem CID: 280500
DTXSID: DTXSID70299702
EC Number: 640-830-6
Nikkaji: J340.470F

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 37 · 37-40°C
Boiling point: 278.4 · 278.4±20.0 °C(Predicted)
Density: 1.604 · 1.604±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to lump
color: White to Orange to Green
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C8H6BrClO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
InChIKey: BIECSXCXIXHDBC-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC(Cl)=CC=C1Br
CAS DataBase Reference: 27007 · 27007-53-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.