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2-Iodobenzoyl chloride

2-Iodobenzoyl chloride structure

CAS No:
609-67-6
Formula:
C7H4ClIO
Chemical Name:
2-Iodobenzoyl chloride
Synonyms:
Benzoyl chloride,2-iodo-;Benzoyl chloride,o-iodo-;2-Iodobenzoyl chloride;o-Iodobenzoyl chloride;2-Iodobenzoic acid chloride
Categories:
Chemical Reagents > Organic Reagents

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Description

white to pinkish or pale yellow crystalline

2-Iodobenzoyl chloride Basic Attributes

Molecular Weight：

266.46

Exact Mass：

266.46

BRN：

2042672

EC Number：

210-196-1

DSSTox ID：

DTXSID4060573

HScode：

2916399090

Characteristics

PSA：

17.07000

XLogP3：

2.82

Appearance：

white to pinkish or pale yellow crystalline

Density：

1.9±0.1 g/cm3

Melting Point：

35-40 °C

Boiling Point：

106-108 °C @ Press: 0.2 Torr

Flash Point：

>110°C

Refractive Index：

1.635

Water Solubility：

Reacts with water.

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

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 44 companies from 3 notifications to the ECHA C&L Inventory.

2-Iodobenzoyl chloride Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of o-iodobenzoic acid and thionyl chloride. The o-iodobenzoic acid and newly distilled thionyl chloride were mixed at a molar ratio of 1:1.3, heated on a water bath, and stirred for 1 h until no more sulfur dioxide and hydrogen chloride gas escaped. Excess thionyl chloride is distilled out under normal pressure, and then distilled under reduced pressure to collect 133-135°C (2.53kPa) fractions to obtain o-iodobenzoyl chloride. The yield was 94%.

Uses

Used in organic synthesis. The product is corrosive and toxic.

Manufacturing Info：

Benzoyl chloride, 2-iodo-: INACTIVE

Computed Properties

Molecular Weight:266.46
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:265.89954
Monoisotopic Mass:265.89954
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Dichloromethane

Oxalyl chloride

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