6-Chloro-7-deazapurine , 98% , 3680-69-1

Synonym(s):
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

CAS NO.：3680-69-1

Empirical Formula: C6H4ClN3

Molecular Weight: 153.57

MDL number: MFCD01686865

EINECS: 628-079-2

PRODUCT Properties

• Melting point: 188-194 °C
• Boiling point: 289.2±50.0 °C(Predicted)
• Density: 1.61±0.1 g/cm3(Predicted)
• vapor pressure: 0Pa at 25℃
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• solubility: Soluble in DMSO, ethyl acetate and methanol.
• form: Crystalline Powder
• pka: 11.42±0.20(Predicted)
• color: White to tan
• InChI: InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
• InChIKey: BPTCCCTWWAUJRK-UHFFFAOYSA-N
• SMILES: C1=NC(Cl)=C2C=CNC2=N1
• LogP: 0.858 at 30℃
• CAS DataBase Reference: 3680-69-1(CAS DataBase Reference)

Description and Uses

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is used in the manufacture of Tofacitinib citrate.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301
• Precautionary statements: P301+P310
• Hazard Codes: Xi,T,Xn
• Risk Statements: 36/37/38-25-20/21/22
• Safety Statements: 26-37-45-36
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: UY9360000
• TSCA: No
• HazardClass: IRRITANT
• PackingGroup: Ⅲ
• HS Code: 29335990
• 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)