4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine supplier

Name
4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
EINECS
CAS No. 1618-36-6
Article Data14
CAS DataBase
Density 1.515 g/cm³
Solubility
Melting Point 227-228 °C (decomp)
Formula C₇H₆ClN₃
Boiling Point 279.894 °C at 760 mmHg
Molecular Weight 167.598
Flash Point 123.076 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-methyl-;
PSA 41.57000
LogP 1.91970

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine Specification

This product is an organic compound with the formula C₇H₆ClN₃. The systematic name of this chemical is 4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine. With the CAS registry number 1618-36-6, it is also named as 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-methyl-. In addition, the molecular weight is 167.60.

Physical properties of 4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.27; (8)ACD/KOC (pH 7.4): 24.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.75 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 43.28 cm³; (15)Molar Volume: 110.6 cm³; (16)Polarizability: 17.15×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 51.86 kJ/mol; (21)Boiling Point: 279.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00391 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C\C1=C\N=C/2\N\C=N/C(/Cl)=C1\2
(2)Std. InChI: InChI=1S/C7H6ClN3/c1-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
(3)Std. InChIKey: NISJMYPRXDUYTF-UHFFFAOYSA-N

Product Name

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine Specification

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