3-Aminobenzonitrile , 98% , 2237-30-1

Synonym(s):
3-Cyanoaniline

CAS NO.：2237-30-1

Empirical Formula: C7H6N2

Molecular Weight: 118.14

MDL number: MFCD00007756

EINECS: 218-800-5

PRODUCT Properties

• Melting point: 48-53 °C(lit.)
• Boiling point: 288-290 °C
• Density: 1.5511 (rough estimate)
• refractive index: 1.5500 (estimate)
• Flash point: 112 °C
• solubility: soluble in Methanol
• form: Crystalline Solid
• pka: 2.75(at 25℃)
• color: Brown
• BRN: 636498
• InChI: InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
• InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=CC(N)=C1
• CAS DataBase Reference: 2237-30-1(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3-amino-(2237-30-1)

Description and Uses

3-Aminobenzonitrile was used in the synthesis of series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles. It was also used in the preparation of highly substituted γ-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agonist.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H317
• Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
• Hazard Codes: Xn,Xi
• Risk Statements: 20/21/22-43-22-36/37/38
• Safety Statements: 36/37-36-26
• RIDADR: 3276
• WGK Germany: 3
• RTECS: DI2454000
• Hazard Note: Harmful
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29214200
• 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)