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4-Iodoaniline

4-Iodoaniline structure

CAS No:
540-37-4
Formula:
C6H6IN
Chemical Name:
4-Iodoaniline
Synonyms:
Benzenamine,4-iodo-;Aniline,p-iodo-;4-Iodobenzenamine;p-Iodoaniline;4-Iodoaniline;p-Aminophenyl iodide;4-Iodophenylamine;1-Iodo-4-aminobenzene;p-Aminoiodobenzene;NSC 9246;4-Iodobenzeneamine;1-Amino-4-iodobenzene;4-Aminoiodobenzene;62751-12-6
Categories:
Organic Chemistry > Amides

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Description

beige to greyish-brown crystalline powder

4-Iodoaniline Basic Attributes

Molecular Weight：

219.02

Exact Mass：

219.02

BRN：

774101

EC Number：

208-743-4

UNII：

0BMK56397B

NSC Number：

9246

DSSTox ID：

DTXSID9060239

HScode：

29214210

Characteristics

PSA：

XLogP3：

2.3

Appearance：

Beige to grayish-brown Crystalline Powder or Needles

Density：

1.9±0.1 g/cm3

Melting Point：

67.5 °C

Boiling Point：

268.7ºC at 760 mmHg

Flash Point：

116.3±22.6 °C

Refractive Index：

1.688

Water Solubility：

Slightly soluble in water.soluble in chloroform, methanol.

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

22-36/37/38-20/21/22

safety instructions：

26-36/37/39-36

RTECS Number：

BY3850000

Marks：

Xn,Xi

Hazard note：

Harmful/Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (98.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 64 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-iodoaniline

4-Iodoaniline Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water, and slowly add the crushed iodine in portions under vigorous stirring. After the addition, continue stirring for 20 min. If the resulting reaction solution is yellow, a little sodium bisulfite can be added to discolor it, and then filtered to obtain a crude product. Recrystallized by ethanol to get the finished product.

Uses

4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxicant in vitro than other anilines.

Manufacturing Info：

Benzenamine, 4-iodo-: ACTIVE

Computed Properties

Molecular Weight:219.02
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:218.95450
Monoisotopic Mass:218.95450
Topological Polar Surface Area:26
Heavy Atom Count:8
Complexity:66.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium bisulfite

Sodium chlorite

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