Pteridine, 4-chloro- supplier

Name
4-CHLORO-PTERIDINE
EINECS
CAS No. 72700-48-2
Article Data2
CAS DataBase
Density 1.536 g/cm³
Solubility
Melting Point
Formula C₆H₃ClN₄
Boiling Point 303.8 °C at 760 mmHg
Molecular Weight 166.57
Flash Point 166 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-CHLORO-PTERIDINE
PSA 51.56000
LogP 1.07320

Pteridine, 4-chloro- Specification

This chemical is called Pteridine, 4-chloro-, and its systematic name is 4-chloropteridine. With the molecular formula of C₆H₃ClN₄, the CAS registry number of this chemical is 72700-48-2.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.07; (8)ACD/KOC (pH 7.4): 11.07; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.56 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 41.35 cm³; (15)Molar Volume: 108.3 cm³; (16)Polarizability: 16.39×10^-24cm³; (17)Surface Tension: 79.3 dyne/cm; (18)Density: 1.536 g/cm³; (19)Flash Point: 166 °C; (20)Enthalpy of Vaporization: 52.23 kJ/mol; (21)Boiling Point: 303.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00164 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ncnc1nccnc12
2.InChI: InChI=1/C6H3ClN4/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H
3.InChIKey: RPTAZGNUCCXMMY-UHFFFAOYAP
4.Std. InChI: InChI=1S/C6H3ClN4/c7-5-4-6(11-3-10-5)9-2-1-8-4/h1-3H
5.Std. InChIKey: RPTAZGNUCCXMMY-UHFFFAOYSA-N

Product Name

4-CHLORO-PTERIDINE

Pteridine, 4-chloro- Specification

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