ChemicalBook--->CAS DataBase List--->540-37-4

540-37-4

540-37-4 Structure

540-37-4 Structure
IdentificationMore
[Name]

4-Iodoaniline
[CAS]

540-37-4
[Synonyms]

1-amino-4-iodobenzene
4-IODOANILINE
BENZENAMINE, 4-IODO-
P-IODOANILINE
4-iodo-anilin
4-iodo-benzenamin
4-iodobenzenamine
4-iodo-Benzenamine
4-Iodo-phenylamine
Aniline, 4-iodo-
Aniline, p-iodo-
Benzenamine,4-Iodoaniline
p-Aminophenyl iodide
p-aminophenyliodide
p-iodo-anilin
4-Indo Aniline
4-Iodoaniline,~98%
IODOANILINE, 4-
p-lodoaniline
4-LODANILINE
[EINECS(EC#)]

208-743-4
[Molecular Formula]

C6H6IN
[MDL Number]

MFCD00007848
[Molecular Weight]

219.02
[MOL File]

540-37-4.mol
Chemical PropertiesBack Directory
[Appearance]

beige to greyish-brown crystalline powder
[Melting point ]

61-63 °C(lit.)
[Boiling point ]

268.7±23.0 °C(Predicted)
[density ]

1.8155 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

H2O: slightly soluble
[form ]

Crystalline Powder or Needles
[pka]

3.81(at 25℃)
[color ]

Beige to grayish-brown
[Water Solubility ]

Slightly soluble in water.Soluble in chloroform, methanol.
[Sensitive ]

Light Sensitive
[Merck ]

14,5027
[BRN ]

774101
[InChI]

1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
[InChIKey]

VLVCDUSVTXIWGW-UHFFFAOYSA-N
[SMILES]

Nc1ccc(I)cc1
[CAS DataBase Reference]

540-37-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 4-iodo-(540-37-4)
[EPA Substance Registry System]

540-37-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

BY3850000
[F ]

8
[Hazard Note ]

Harmful/Irritant
[TSCA ]

T
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29214210
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium bisulfite
[Preparation Products]

N-(4-THIOPHEN-2-YL-PHENYL)-ACETAMIDE-->4-ETHYNYLANILINE-->4,4'-Dithiodianiline-->4,4'-THIODIANILINE-->4-Isopropylaniline-->4-Aminobenzoic acid-->4-Phenoxyaniline-->1-Iado-4-(trifluoromethoxy)benzene-->4'-AMINOBUTYROPHENONE-->3'-METHOXY-BIPHENYL-4-YLAMINE HYDROCHLORIDE-->3'-FLUORO-BIPHENYL-4-YLAMINE HYDROCHLORIDE-->4'-CHLORO-BIPHENYL-4-YLAMINE-->5-iodo-1-methylindoline-2,3-dione-->4'-DIETHYLAMINOPHENYL ACETYLENE-->Benzenamine, 4-(1-naphthalenyl)--->4-Iodo-N,N-dimethyl-Benzenamine-->4-IODO-N-METHYLANILINE-->4-(2-METHOXYETHOXY)ANILINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

p-Iodoaniline(540-37-4).msds
Hazard InformationBack Directory
[Chemical Properties]

beige to greyish-brown crystalline powder
[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 nephrotoxica nt in vitro than other anilines.
[Uses]

suzuki reaction
[Preparation]

4-Iodoaniline is obtained by the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water and slowly add crushed iodine in stages with vigorous stirring. If the reaction solution is yellow, add a little sodium bisulfite to make it discolor, then filter and get the crude product. Then the product is recrystallized by ethanol to obtain 4-Iodoaniline.
[General Description]

4-Iodoaniline is the most potent methaemoglobin former.
[Purification Methods]

Crystallise it from pet ether (b 60-80o) by refluxing, then cool it in an ice-salt bath freezing mixture. Dry it in air. Alternatively, crystallise it from EtOH and dry it in vacuo for 6hours at 40o [Edidin et al. J Am Chem Soc 109 3945 1987]. The N-acetyl derivative has m 184o (from MeOH). [Beilstein 12 IV 1544.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Iodoaniline(540-37-4)MS
4-Iodoaniline(540-37-4)1HNMR
4-Iodoaniline(540-37-4)13CNMR
4-Iodoaniline(540-37-4)IR1
4-Iodoaniline(540-37-4)IR2
4-Iodoaniline(540-37-4)IR3
4-Iodoaniline(540-37-4)IR
4-Iodoaniline(540-37-4)Raman
4-Iodoaniline(540-37-4)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Iodoaniline, 99%(540-37-4)
[Alfa Aesar]

4-Iodoaniline, 98%(540-37-4)
[Sigma Aldrich]

540-37-4(sigmaaldrich)
[TCI AMERICA]

4-Iodoaniline,>99.0%(GC)(T)(540-37-4)
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