4-Nitrophenyl isothiocyanate , ≥98.0%(GC) , 2131-61-5

CAS NO.：2131-61-5

Empirical Formula: C7H4N2O2S

Molecular Weight: 180.18

MDL number: MFCD00007307

EINECS: 218-359-9

PRODUCT Properties

• Melting point: 110-112 °C(lit.)
• Boiling point: 137-138 °C11 mm Hg(lit.)
• Density: 1.4360 (rough estimate)
• refractive index: 1.6000 (estimate)
• Flash point: 137-138°C/11mm
• storage temp.: Store at <= 20°C.
• solubility: Very slightly soluble in alcohol and oils.
• form: powder to crystal
• color: Light orange to Yellow to Green
• Odor: Pungent-sweet herbaceous-spicy odor with resemblance to Bitter-almond and remote similarity to Heliotropine.
• Water Solubility: It hydrolyzes with water. Soluble in toluene.
• Sensitive: Moisture Sensitive
• BRN: 640027
• InChIKey: NXHSSIGRWJENBH-UHFFFAOYSA-N
• CAS DataBase Reference: 2131-61-5(CAS DataBase Reference)
• EPA Substance Registry System: Benzene, 1-isothiocyanato-4-nitro- (2131-61-5)

Description and Uses

4-Nitrophenyl isothiocyanate has been used in the synthesis of:

• 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one
• 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides
• acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Danger
• Hazard statements: H315-H317-H319-H334-H335
• Precautionary statements: P280-P302+P352-P305+P351+P338
• Hazard Codes: Xn
• Risk Statements: 36/37/38-42
• Safety Statements: 22-26-36
• RIDADR: 2811
• WGK Germany: 3
• F: 10-21
• TSCA: Yes
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29309090
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)