Benzoyl chloride, 3-bromo-

HCID 74377
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Basic information

CAS
1711-09-7
Standard SMILES
O=C(Cl)c1cccc(Br)c1
InChIKey
PBOOZQFGWNZNQE-UHFFFAOYSA-N
Molecular formula
C7H4BrClO
Average molar mass
219.46 g/mol
Monoisotopic mass
217.91340453

Names & identifiers

Preferred name
Benzoyl chloride, 3-bromo-
IUPAC
3-bromobenzoyl chloride
English name
3-Bromobenzoyl chloride
Molecular formula
C7H4BrClO
Molecular weight
219.46

Names & synonyms

3-Bromobenzoyl chloride1711-09-7m-Bromobenzoyl chlorideBenzoyl chloride, 3-bromo-Benzoyl chloride, m-bromo-EINECS 216-978-9NSC 100315DTXSID0061907RefChem:566455DTXCID2035481Benzoyl chloride, m-bromo-(8CI)216-978-9
Show more names
SKL7493-BromobenzoyL3-Bromobenzoyl chlor3-bromo-benzoylchloridBetween broMine chloride3-BromobenzoylChloride>Benzoyl chloride, m-bromo-
3-bromobenzoylchlorideMFCD000006693-bromobenzoic acid chloride3-Brom-benzoylchlorid3-bromobenzoic chloride3-Bromo-benzoylchloride3-bromo benzoyl chloride3-bromo-benzoyl chloride

Database identifiers

CAS
1711-09-7
PubChem CID
74377
DTXSID
DTXSID0061907
EC Number
216-978-9
Nikkaji
J7.570A

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
139.5 · 139.5-141.3 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
Boiling point
74 · 74-75 °C/0.5 mmHg (lit.)
Density
1.662 g/mL · 1.662 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.595(lit.)
Flash point
225 °F · 225°F
storage temp.
RT, stored under nitrogen

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 50 reports by companies from 8 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information3-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
19-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29163990

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoyl chloride, 3-bromo-: ACTIVE

Applications

Uses3-Bromobenzoyl chloride was used in the synthesis of 2-(3-bromophenyl)-5-phenyl-1,3,4-oxadiazole and (4-benzhydryl-1,4-diazepan-1-yl)(3-bromophenyl)methanone.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

Related reactions

149 records
New reaction record

Compound notes

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