ChemicalBook--->CAS DataBase List--->54029-45-7

54029-45-7

54029-45-7 Structure

54029-45-7 Structure
IdentificationBack Directory
[Name]

2-Nitro-4-thiocyanatoaniline
[CAS]

54029-45-7
[Synonyms]

Einecs 258-931-5
Albendazole Impurity 5
o-Nitro-p-thiocyanoaniline
2-Nitro-4-thiocyanatoaniline
4-Thiocyanato-2-nitroaniline.
Thiocyanicacid4-amino-3-nitrop
2-NITRO-4-THIOCYANATOANILINE 96
4-amino-3-nitrophenyl thiocyanate
Thiocyanicacid4-amino-3-nitrophenylester
Albendazole Impurity 5 (2-Nitro-4-Thiocyanatoaniline)
1-(2,6-dimethylphenoxy)-3-(2,2,5,5-tetramethyl-1-pyrrolidinyl)-2-propanol hydrochloride
[EINECS(EC#)]

258-931-5
[Molecular Formula]

C7H5N3O2S
[MDL Number]

MFCD00463878
[MOL File]

54029-45-7.mol
[Molecular Weight]

195.2
Chemical PropertiesBack Directory
[Melting point ]

113 °C (lit.)
[Boiling point ]

378.9±32.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-2.09±0.10(Predicted)
[color ]

Yellow
[InChI]

InChI=1S/C7H5N3O2S/c8-4-13-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
[InChIKey]

QUWHIBBGKKRYFW-UHFFFAOYSA-N
[SMILES]

S(C1=CC=C(N)C([N+]([O-])=O)=C1)C#N
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2930909899
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

Albendazole Impurity 5
Spectrum DetailBack Directory
[Spectrum Detail]

2-Nitro-4-thiocyanatoaniline(54029-45-7)MS
2-Nitro-4-thiocyanatoaniline(54029-45-7)1HNMR
2-Nitro-4-thiocyanatoaniline(54029-45-7)IR1
2-Nitro-4-thiocyanatoaniline(54029-45-7)IR2
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