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3-Bromobenzoyl chloride

3-Bromobenzoyl chloride structure

CAS No:
1711-09-7
Formula:
C7H4BrClO
Chemical Name:
3-Bromobenzoyl chloride
Synonyms:
Benzoyl chloride,3-bromo-;Benzoyl chloride,m-bromo-;3-Bromobenzoyl chloride;m-Bromobenzoyl chloride;NSC 100315
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear light yellow liquid

3-Bromobenzoyl chloride Basic Attributes

Molecular Weight：

219.46

Exact Mass：

219.46

BRN：

1635505

EC Number：

216-978-9

NSC Number：

100315

DSSTox ID：

DTXSID0061907

HScode：

29163990

Characteristics

PSA：

17.1

XLogP3：

3.18

Appearance：

colorless liquid

Density：

1.662 g/mL at 25 °C(lit.)

Melting Point：

139.5-141.3 °C @ Solvent: Ligroine, Dichloromethane

Boiling Point：

84.5-86.5 °C @ Press: 3 Torr

Flash Point：

225°F

Refractive Index：

n 20/D 1.595(lit.)

Vapor Pressure：

0.0114mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-37

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory.

3-Bromobenzoyl chloride Use and Manufacturing

Uses

Used as an intermediate in organic synthesis

Manufacturing Info：

Benzoyl chloride, 3-bromo-: ACTIVE

Computed Properties

Molecular Weight:219.46
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:217.91341
Monoisotopic Mass:217.91341
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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