CAS 334792-52-8 Methyl 3-bromo-5-fluorobenzoate (HCID 21942598)

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Basic information

CAS: 334792-52-8
Standard SMILES: COC(=O)c1cc(F)cc(Br)c1
InChIKey: JERAACCIOWRRQA-UHFFFAOYSA-N
Molecular formula: C8H6BrFO2
Average molar mass: 233.03 g/mol
Monoisotopic mass: 231.95351975

Names & identifiers

Preferred name: Methyl 3-bromo-5-fluorobenzoate
IUPAC: methyl 3-bromo-5-fluorobenzoate
English name: Methyl 3-bromo-5-fluorobenzoate
Molecular formula: C8H6BrFO2
Molecular weight: 233.03

Names & synonyms

METHYL 3-BROMO-5-FLUOROBENZOATE334792-52-8DTXSID70620512RefChem:157454DTXCID60571266608-871-4MFCD077807353-BROMO-5-FLUOROBENZOIC ACID METHYL ESTERMETHYL3-BROMO-5-FLUOROBENZOATEBENZOIC ACID, 3-BROMO-5-FLUORO-, METHYL ESTERSCHEMBL2825430methyl-3-bromo-5-fluorobenzoate

Show more names

3-bromo-5-fluorobenzoate

AB9637methyl 3-bromo-5-fluoro-benzoatemethyl 5-bromo-3-fluorobenzoateSCHEMBL29453088JNA79252BBL100433SBB098031AKOS005254318

Database identifiers

CAS: 334792-52-8
PubChem CID: 21942598
DTXSID: DTXSID70620512
EC Number: 608-871-4

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 251.6 · 251.6±25.0℃ (760 Torr)
Density: 1.577 · 1.577±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 106 · 106.0±23.2℃
refractive index: 1.5345 · 1.5345
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Solid-Liquid Mixture
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Hazard Codes: T
Risk Statements: 25 · 25-36
Safety Statements: 26 · 26-45
RIDADR: 2810 · UN2810
HS Code: 2914390090 · 2914390090

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: UN2810
hs_code: 2914390090
risk_code: 25-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 26-45
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c