2-Amino-5-methyl-3-thiophenecarbonitrile , ≥98.0% , 138564-58-6

CAS NO.：138564-58-6

Empirical Formula: C6H6N2S

Molecular Weight: 138.19

MDL number: MFCD01626055

EINECS: 604-082-4

PRODUCT Properties

• Melting point: 101-103°C
• Boiling point: 318.5±42.0 °C(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)
• storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• solubility: soluble in Methanol
• form: powder to crystal
• pka: 0.16±0.10(Predicted)
• color: Light yellow to Brown
• InChI: InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
• InChIKey: YGXADLPRHBRTPG-UHFFFAOYSA-N
• SMILES: C1(N)SC(C)=CC=1C#N
• CAS DataBase Reference: 138564-58-6(CAS DataBase Reference)

Description and Uses

An Impurity generated in the preparation of Olanzapine (O253750).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319
• Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
• Hazard Codes: Xi,Xn
• Risk Statements: 20/21/22-22
• Safety Statements: 22-36/37/39
• RIDADR: 3276
• HazardClass: IRRITANT
• HS Code: 29349990