Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro- supplier

Name
7-bromo-4-chloropyrido[3,2-d]pyrimidine
EINECS
CAS No. 573675-31-7
Article Data3
CAS DataBase
Density 1.861 g/cm³
Solubility
Melting Point
Formula C₇H₃BrClN₃
Boiling Point 334 °C at 760 mmHg
Molecular Weight 244.48
Flash Point 155.8 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 7-Bromo-4-chloropyrido[3,2-d]pyrimidine;
PSA 38.67000
LogP 2.44070

Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro- Specification

The Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro-, with the CAS registry number 573675-31-7, belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₇H₃BrClN₃ and molecular weight is 244.48. What's more, its systematic name is 7-Bromo-4-chloropyrido[3,2-d]pyrimidine.

Physical properties of Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.92; (7)ACD/KOC (pH 5.5): 74.88; (8)ACD/KOC (pH 7.4): 74.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 50.95 cm³; (15)Molar Volume: 131.3 cm³; (16)Polarizability: 20.19×10^-24cm³; (17)Surface Tension: 69.9 dyne/cm; (18)Density: 1.861 g/cm³; (19)Flash Point: 155.8 °C; (20)Enthalpy of Vaporization: 55.4 kJ/mol; (21)Boiling Point: 334 °C at 760 mmHg; (22)Vapour Pressure: 0.000256 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1cc(Br)cnc12
(2)InChI: InChI=1S/C7H3BrClN3/c8-4-1-5-6(10-2-4)7(9)12-3-11-5/h1-3H
(3)InChIKey: POZFSLLRNAMHBC-UHFFFAOYSA-N

Product Name

7-bromo-4-chloropyrido[3,2-d]pyrimidine

Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro- Specification

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