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  • Benzoyl chloride,3-bromo
Name:Benzoyl chloride,3-bromo
CAS No:1711-09-7

PRODUCT DESCRIPTION

【Name】
Benzoyl chloride,3-bromo-
【Iupac name】
3-bromobenzoyl chloride
【CAS Registry number】
1711-09-7
【Synonyms】
Benzoylchloride, m-bromo- (6CI,7CI,8CI)
3-Bromobenzoyl chloride
m-Bromobenzoyl chloride
NSC 100315
【EINECS(EC#)】
216-978-9
【Molecular Formula】
C7H4BrClO (Products with the same molecular formula)
【Molecular Weight】
219.46
【Inchi】
InChI=1/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
【InChIKey】
PBOOZQFGWNZNQE-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC(=C1)Br)C(=O)Cl
【MOL File】
1711-09-7.mol

Chemical and Physical Properties

【Appearance】
colorless liquid
【Density】
1.662
【Boiling Point】
74-75℃ (0.5 mmHg)
【Vapour】
0.0114mmHg at 25°C
【Refractive Index】
1.595
【Flash Point】
225?
【Computed Properties】
Molecular Weight:219.46306 [g/mol]
Molecular Formula:C7H4BrClO
XLogP3:3.9
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:217.913405
MonoIsotopic Mass:217.913405
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:138
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R34;R37
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【Safety】
Hazard Codes:C
Risk Statements:34-37
34:Causes burns
37:Irritating to the respiratory system
Safety Statements:26-36/37/39-45
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR:UN 3265 8/PG 2
WGK Germany:3
HazardClass:8
PackingGroup:II
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 3265
【Specification】

Safety Statements:26-36/37/39-45
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

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