3H-1,2,3-Triazolo[4,5-d]pyrimidine,7-chloro- supplier

Name
7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE
EINECS
CAS No. 23002-52-0
Density 1.793 g/cm³
Solubility
Melting Point
Formula C₄H₂ClN₅
Boiling Point 452.8 °C at 760 mmHg
Molecular Weight 155.5452
Flash Point 260.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine;6-Chloro-8-azapurine;1H-v-Triazolo[4,5-d]pyrimidine,7-chloro- (8CI);v-Triazolo[4,5-d]pyrimidine, 7-chloro- (7CI);
PSA 67.35000
LogP 0.40130

3H-1,2,3-Triazolo[4,5-d]pyrimidine,7-chloro- Specification

The 3H-1, 2, 3-Triazolo[4, 5-d]pyrimidine, 7-chloro-, with the CAS registry number 23002-52-0, is also known as 7-Chloro-3H-[1, 2, 3]triazolo[4, 5-d]pyrimidine. It belongs to the product categories of Heterocycles Series; Halides; Fused Ring Systems. This chemical's molecular formula is C₄H₂ClN₅ and molecular weight is 155.5452. What's more, its systematic name is 7-Chloro-3H-triazolo[4, 5-d]pyrimidine.

Physical properties about 3H-1, 2, 3-Triazolo[4, 5-d]pyrimidine, 7-chloro- are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 67.35 Å²; (7)Index of Refraction: 1.762; (8)Molar Refractivity: 35.78 cm³; (9)Molar Volume: 86.7 cm³; (10)Polarizability: 14.18×10^-24 cm³; (11)Surface Tension: 113.7 dyne/cm; (12)Density: 1.793 g/cm³; (13)Flash Point: 260.2 °C; (14)Enthalpy of Vaporization: 71.21 kJ/mol; (15)Boiling Point: 452.8 °C at 760 mmHg; (16)Vapour Pressure: 2.17E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1nc2c(c(n1)Cl)nn[nH]2
(2) InChI: InChI=1/C4H2ClN5/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H,6,7,8,9,10)
(3) InChIKey: SHHOCMVHDWGNCE-UHFFFAOYAZ

Product Name

7-CHLORO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE

3H-1,2,3-Triazolo[4,5-d]pyrimidine,7-chloro- Specification

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