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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
Recommended Products
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Regulatory Information
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Reaction of 2-Nitro-4-thiocyanatoaniline with 4-Nitrochlorobenzene.
Pilyugin VS, et al.
Russ. J. Gen. Chem., 72(9), 1439-1443 (2002)
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)
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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