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550647

Sigma-Aldrich

2-Nitro-4-thiocyanatoaniline

95%

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About This Item

Linear Formula:
O2NC6H3(SCN)NH2
CAS Number:
Molecular Weight:
195.20
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

95%

form

solid

mp

113 °C (lit.)

SMILES string

Nc1ccc(SC#N)cc1[N+]([O-])=O

InChI

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

InChI key

QUWHIBBGKKRYFW-UHFFFAOYSA-N

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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Synthesis of 2-Amino-5 (6)-(4-aminophenyl) benzimidazole Derivatives: II. Reaction of 2-Nitro-4-thiocyanatoaniline with 4-Nitrochlorobenzene.
Pilyugin VS, et al.
Russ. J. Org. Chem., 39(7), 979-984 (2003)
Reaction of 2-Nitro-4-thiocyanatoaniline with 4-Nitrochlorobenzene.
Pilyugin VS, et al.
Russ. J. Gen. Chem., 72(9), 1439-1443 (2002)
Andreas Schmidt et al.
Organic & biomolecular chemistry, 1(23), 4342-4350 (2003-12-20)
2,3-Diaminophenol 4, 3,4-diaminophenol 5, 4-methoxy-1,2-diaminobenzene 6, 3,4-diaminobenzenethiol 7, 2,3-diaminobenzoic acid 8, and 3,4-diaminobenzoic acid 9 were reacted with 2,4-pentanedione to yield the corresponding benzo[b][1,4]diazepinium salts, respectively. The hydroxy-benzo[b][1,4]diazepinium salts 17 and 18 do not form mesomeric betaines (MB) on deprotonation.

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