CAS No.7781-10-4,4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7781-10-4
Name:	4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
Article Data:	13

Formula:	C₇H₆ClN₃
Molecular Weight:	167.598
Synonyms:	4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine;
Density:	1.43 g/cm³
Boiling Point:	301.5 °C at 760 mmHg
Flash Point:	136.2 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	30.71000
LogP:	1.62170

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Specification

The 5-Chloro-9-methyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene, with the CAS registry number 7781-10-4, is also known as 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-methyl-. This chemical's molecular formula is C₇H₆ClN₃ and molecular weight is 167.59564. What's more, its systematic name is called 4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Physical properties about 5-Chloro-9-methyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 30.71 Å²; (7)Index of Refraction: 1.681; (8)Molar Refractivity: 44.18 cm³; (9)Molar Volume: 116.7 cm³; (10)Surface Tension: 49.7 dyne/cm; (11)Density: 1.43 g/cm³; (12)Flash Point: 136.2 °C; (13)Enthalpy of Vaporization: 52 kJ/mol; (14)Boiling Point: 301.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00187 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncnc2c1ccn2C
(2) InChI: InChI=1/C7H6ClN3/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3
(3) InChIKey: BJGDLOLPALCTJQ-UHFFFAOYAQ