ChemicalBook--->CAS DataBase List--->626-01-7

626-01-7

626-01-7 Structure

626-01-7 Structure
IdentificationMore
[Name]

3-Iodoaniline
[CAS]

626-01-7
[Synonyms]

1-amino-2-iodobenzene
3-IODOANILINE
BENZENAMINE, 3-IODO-
M-IODOANILINE
3-aminonitrobenzene
3-iodo-benzenamin
3-iodobenzenamine
Aniline, m-iodo-
m-Aminoiodobenzene
m-iodo-anilin
Iodoaniline,98%
3-Iodoailine
3-Iodoaniline m-Iodoaniline
3-Iodoaniline,98%
[EINECS(EC#)]

210-922-7
[Molecular Formula]

C6H6IN
[MDL Number]

MFCD00007781
[Molecular Weight]

219.02
[MOL File]

626-01-7.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to yellow-brown low melting solid
[Melting point ]

21-24 °C (lit.)
[Boiling point ]

145-146 °C/15 mmHg (lit.)
[density ]

1.821 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.682(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

liquid (clear)
[pka]

3.58(at 25℃)
[color ]

clear yellow
[Specific Gravity]

1.820
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Light Sensitive
[BRN ]

636058
[InChI]

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

FFCSRWGYGMRBGD-UHFFFAOYSA-N
[SMILES]

Nc1cccc(I)c1
[CAS DataBase Reference]

626-01-7(CAS DataBase Reference)
[NIST Chemistry Reference]

3-I-C6H4NH2(626-01-7)
[EPA Substance Registry System]

626-01-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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

2810
[WGK Germany ]

3
[RTECS ]

BY3750000
[F ]

8
[TSCA ]

T
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29214210
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

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

1-Iodo-3-nitrobenzene-->Ethanol-->Water-->Sodium borohydride
[Preparation Products]

5-CYANO-2-NITROPHENYLBORONIC ACID-->3-Aminobenzonitrile-->2-(3-AMINOPHENYL)PYRIDINE-->N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine-->3-(METHYLSULFONYL)ANILINE-->3-AMINOBIPHENYL-->Amphenidone-->N-(3-Iodophenyl)-2-nitrobenzenesulfonamide, 97%-->Benzenamine, 3-iodo-N-(1-methylethyl)--->4-Fluoro-N-(3-iodophenyl)benzaMide, 97%
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Iodoaniline(626-01-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to yellow-brown low melting solid
[Uses]

3-Iodoanilineis used as Anilines, Aromatic Amines and Nitro Compounds.
[Synthesis Reference(s)]

Tetrahedron Letters, 34, p. 3083, 1993 DOI: 10.1016/S0040-4039(00)93385-9
[Synthesis]

1-Iodo-3-nitrobenzene

645-00-1

3-Iodoaniline

626-01-7

The general procedure for the synthesis of 3-iodoaniline from 1-iodo-3-nitrobenzene was carried out as follows: the TAPEHA-Pd catalyst (0.015 g) was added to a mixture of EtOH/water (1:1, 20 mL) containing nitroaromatics (1.0 mmol). Upon slow addition of NaBH4 (4.0 mmol), the color of the reaction mixture gradually changed to black within a few minutes, indicating the formation of palladium nanoparticles (TAPEHA-PdNPs). The reaction was stirred continuously for 1.5 h at room temperature and atmospheric pressure. After completion of the reaction, the catalyst was removed by filtration. The product in the reaction mixture was extracted with ethyl acetate (3 × 30 mL). The organic layers were combined and dried with anhydrous MgSO4 and subsequently concentrated under vacuum.

[References]

[1] Nature Chemistry, 2013, vol. 5, # 6, p. 537 - 543
[2] Dalton Transactions, 2016, vol. 45, # 17, p. 7421 - 7426
[3] Turkish Journal of Chemistry, 2017, vol. 41, # 5, p. 784 - 792
[4] Tetrahedron Letters, 1994, vol. 35, # 23, p. 3965 - 3966
[5] Synthetic Communications, 2003, vol. 33, # 2, p. 281 - 289
Spectrum DetailBack Directory
[Spectrum Detail]

3-Iodoaniline(626-01-7)MS
3-Iodoaniline(626-01-7)1HNMR
3-Iodoaniline(626-01-7)13CNMR
3-Iodoaniline(626-01-7)IR1
3-Iodoaniline(626-01-7)IR2
3-Iodoaniline(626-01-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Iodoaniline, 98%(626-01-7)
[Alfa Aesar]

3-Iodoaniline, 98%(626-01-7)
[Sigma Aldrich]

626-01-7(sigmaaldrich)
[TCI AMERICA]

3-Iodoaniline,>99.0%(GC)(626-01-7)
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