ChemicalBook--->CAS DataBase List--->21304-38-1

21304-38-1

21304-38-1 Structure

21304-38-1 Structure
IdentificationBack Directory
[Name]

1,2-BENZENEDIAMINE, 4-IODO-
[CAS]

21304-38-1
[Synonyms]

2-Amino-4-iodoaniline
2-Amino-5-iodoaniline
4-Iodo-1,2-benzenediamine
1,2-Diamino-4-iodobenzene
4-Iodo-o-phenylenediamine
2-Amino-4-iodophenylamine
4-Iodo-1,2-diaminobenzene
4-iodo-1,2-phenylenediaMine
1,2-BENZENEDIAMINE, 4-IODO-
4-Iodo-o-phenylenediamine,95%
4-Iodobenzene-1,2-diamine 97%
4-Iodo-1,2-phenylenediamine97%
4-IODO-1,2-PHENYLENEDIAMINE 97%
1,2-DiaMino-4-iodobenzene[3,4-DiaMinoiodobenzene]
1,2-Diamino-4-iodobenzene, 4-Iodophenylene-1,2-diamine
[Molecular Formula]

C6H7IN2
[MDL Number]

MFCD08669466
[MOL File]

21304-38-1.mol
[Molecular Weight]

234.038
Chemical PropertiesBack Directory
[Melting point ]

73-77℃
[Boiling point ]

339.0±32.0 °C(Predicted)
[density ]

2.016
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[form ]

Solid
[pka]

3.37±0.10(Predicted)
[Appearance]

Light brown to brown Solid
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Light Sensitive
[InChI]

InChI=1S/C6H7IN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
[InChIKey]

FUOSRKZBOIVBOS-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(I)C=C1N
[CAS DataBase Reference]

21304-38-1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[HazardClass ]

6.1
[HS Code ]

2921599090
Hazard InformationBack Directory
[Uses]

It is employed in the synthesis of N-(Benzimidazol-2-ylmethyl)iminodiacetic acids.
[Synthesis]

4-Iodo-2-nitroaniline

20691-72-9

1,2-BENZENEDIAMINE, 4-IODO-

21304-38-1

Using 4-iodo-2-nitroaniline as starting material, the reduction reaction was carried out by adding 5 equivalents of tin dichloride dihydrate to an ethanol solution and reacting at 75°C for 2 hours. Upon completion of the reaction, 4-iodo-1,2-benzenediamine was obtained in 92% yield and the product was a light red solid.

[References]

[1] Patent: WO2010/43711, 2010, A1. Location in patent: Page/Page column 56
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 19, p. 6714 - 6723
[3] Patent: US2012/46307, 2012, A1. Location in patent: Page/Page column 27
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 18, p. 7241 - 7257
[5] Patent: JP2016/79108, 2016, A. Location in patent: Paragraph 0051
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-BENZENEDIAMINE, 4-IODO-(21304-38-1)1HNMR
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