3-Bromo-4-fluorobenzoyl chloride

HCID 69598

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 672-75-3
Standard SMILES: O=C(Cl)c1ccc(F)c(Br)c1
InChIKey: HPHZOCIBMCWXCQ-UHFFFAOYSA-N
Molecular formula: C7H3BrClFO
Average molar mass: 237.45 g/mol
Monoisotopic mass: 235.90398

Names & identifiers

Preferred name: 3-Bromo-4-fluorobenzoyl chloride
IUPAC: 3-bromo-4-fluorobenzoyl chloride
English name: 3-Bromo-4-fluorobenzoyl chloride
Molecular formula: C7H3BrClFO
Molecular weight: 237.45

Names & synonyms

3-Bromo-4-fluorobenzoyl chloride672-75-3EINECS 211-596-9DTXSID90217483RefChem:93161DTXCID90139974211-596-93-bromo-4-fluorobenzoylchloride3-Bromo-4-fluoro-benzoyl chlorideBenzoyl chloride,3-bromo-4-fluoro-MFCD04972690SCHEMBL146573

Show more names

SKL1301

42SK58ALG6SBB098838Benzoyl chloride, 3-bromo-4-fluoro-AKOS0159623773-bromo-4-fluoro-benzoic acid chloridePS-10772DB-022337NS00042801

Database identifiers

CAS: 672-75-3
PubChem CID: 69598
DTXSID: DTXSID90217483
UNII: 42SK58ALG6
EC Number: 211-596-9
Nikkaji: J205.970C

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: 43 · 43-45 °C
Boiling point: 241.9 · 241.9±25.0 °C(Predicted)
Density: 1.742 · 1.742±0.06 g/cm3(Predicted)
form: fused solid
color: Colourless/white
CAS DataBase Reference: 672 · 672-75-3(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS08,GHS02
Signal word: Danger
Hazard statements: 311 · H311-H302+H332-H315-H319-H370-H373-H225
Precautionary statements: 501 · P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P361+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P235-P405
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
Hazard Note: Corrosive
HazardClass: 8 · 8
HS Code: 2916399090 · 2916399090
Limited Quantities: 5 kg · 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 · 5 items

Danger

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

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

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3265
hs_code: 2916399090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS02
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39
hazard_class: 8
Hazard statements: H311-H302+H332-H315-H319-H370-H373-H225
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P361+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P235-P405