CAS 7154-66-7 2-Bromobenzoyl chloride (HCID 23542)

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Basic information

CAS: 7154-66-7
Standard SMILES: O=C(Cl)c1ccccc1Br
InChIKey: NZCKTGCKFJDGFD-UHFFFAOYSA-N
Molecular formula: C7H4BrClO
Average molar mass: 219.46 g/mol
Monoisotopic mass: 217.91340453

Names & identifiers

Preferred name: 2-Bromobenzoyl chloride
IUPAC: 2-bromobenzoyl chloride
English name: 2-Bromobenzoyl chloride
Molecular formula: C7H4BrClO
Molecular weight: 219.46

Names & synonyms

2-Bromobenzoyl chlorideBENZOYL CHLORIDE, o-BROMO-SEL7RD3BBREINECS 230-507-4NSC 73706BRN 0508506NSC-73706DTXSID80221776RefChem:85852DTXCID10144267230-507-44-09-00-01013 (Beilstein Handbook Reference)

Show more names

AKOS 909222-BromobenzoyLAKOS BBS-00004081o-bromo-benzoylchlorid2-BromobenzoylChloride>Benzoyl chloride, 2-bromo-o-bromobenzoyl chloride(2-2-Bromobenzoyl chloride,98%

NZCKTGCKFJDGFD-UHFFFAOYSA-N7154-66-7Benzoyl chloride, 2-bromo-o-Bromobenzoyl chloride2-bromo-benzoyl chlorideMFCD000006552-bromobenzene-1-carbonyl chlorideo-Bromobenzoyl Chloride; 2-Bromobenzoic Acid Chloride; NSC 73706

Database identifiers

CAS: 7154-66-7
PubChem CID: 23542
DTXSID: DTXSID80221776
UNII: SEL7RD3BBR
EC Number: 230-507-4
Nikkaji: J41.858G

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 8 · 8-10 °C(lit.)
Boiling point: 245 °C · 245 °C(lit.)
Density: 1.679 g/mL · 1.679 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.597(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 0 · 0-6°C
solubility: soluble in Chloroform, Methanol
form: Liquid
Specific Gravity: 1.68 · 1.680
color: Clear colorless to light yellow
Sensitive: Moisture Sensitive
BRN: 508506 · 508506
InChI: InChI=1S/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H

Safety & regulation

GHS classification

GHS Classification · 4 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)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information2-Bromobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

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

Safety data

F: 8-10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: DM6635000
ridadr: UN 3265 8/PG 2
hs_code: 29163990
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs

Chemistry & industry

Applications · 1 item

Uses2-Bromobenzoyl chloride is used in synthetic chemistry as an acylating agent. 2-Bromobenzoyl chloride is also used as a reagent to synthesize fluorazone, a heteroaromatic compound that exhibits antidiabetic, psychostimulant and anticancer activity.