4-Bromo-2-fluorobenzoyl chloride

HCID 2734026

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Basic information

CAS: 151982-51-3
Standard SMILES: O=C(Cl)c1ccc(Br)cc1F
InChIKey: PCFIABOQFAFDAU-UHFFFAOYSA-N
Molecular formula: C7H3BrClFO
Average molar mass: 237.45 g/mol
Monoisotopic mass: 235.90398272

Names & identifiers

Preferred name: 4-Bromo-2-fluorobenzoyl chloride
IUPAC: 4-bromo-2-fluorobenzoyl chloride
English name: 4-BROMO-2-FLUOROBENZOYL CHLORIDE
Molecular formula: C7H3BrClFO
Molecular weight: 237.45

Names & synonyms

4-Bromo-2-fluorobenzoyl chloride151982-51-3DTXSID90370087RefChem:290734DTXCID20321123679-092-5MFCD034115844-bromo-2-fluoro-benzoyl chlorideBenzoyl chloride, 4-bromo-2-fluoro-4-bromo-2-fluorobenzoylchloride2-Fluoro-4-bromobenzoyl chlorideSCHEMBL321094

Show more names

SKL11962-fluoro-4-broMobenzyl chloride4-bromo-2-fluorobenzeneformylchloro4-Bromo-2-fluorobenzoyl chloride,99%4-BROMO-2-FLUOROBENZOYL CHLORIDE 99%4-BroMo-2-fluorobenzoyl chloride, 99% 5GR4-bromo-2-fluoro-benzoyl chloride - [B83144]

PCFIABOQFAFDAU-UHFFFAOYSA-NSBB0988374-Bromo-2-fluorobenzoic acid chlorideAKOS005254959PS-10770SY019128B5817F17558

Database identifiers

CAS: 151982-51-3
PubChem CID: 2734026
DTXSID: DTXSID90370087
EC Number: 679-092-5

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 24 · 24-24.5 °C
Boiling point: 86 · 86-88 °C (15 mmHg)
Density: 1.742 · 1.742±0.06 g/cm3(Predicted)
refractive index: 1.5877 · 1.5877
Flash point: 86 · 86-88°C/15mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid or Crystalline Mass
color: White to light yellow
Sensitive: Lachrymatory
BRN: 6323925 · 6323925
CAS DataBase Reference: 151982 · 151982-51-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,Xn
Risk Statements: 34 · 34-22
Safety Statements: 45 · 45-36/37/39-26
RIDADR: 3265 · 3265
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29062990 · 29062990
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (12.5%)

Safety data

ridadr: 3265
hs_code: 29062990
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xn
hazard_note: Corrosive/Lachrymatory
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a