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Furo[2,3-d]pyrimidine, 4-chloro-

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Name

Furo[2,3-d]pyrimidine, 4-chloro-

EINECS N/A
CAS No. 918340-51-9 Density 1.476 g/cm3
PSA 38.92000 LogP 1.87620
Solubility N/A Melting Point N/A
Formula C6H3ClN2O Boiling Point 230.852 °C at 760 mmHg
Molecular Weight 154.556 Flash Point 93.416 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 918340-51-9 (4-chlorofuro[2,3-d]pyrimidine) Hazard Symbols N/A
Synonyms

4-Chlorofuro[2,3-d]pyrimidine;4-Chlorofuro[2,3-d]pyrimidine;

Article Data 4

Furo[2,3-d]pyrimidine, 4-chloro- Specification

The Furo[2,3-d]pyrimidine, 4-chloro-, with the CAS registry number 918340-51-9, has the systematic name and IUPAC name of 4-chlorofuro[2,3-d]pyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H3ClN2O.

The characteristics of Furo[2,3-d]pyrimidine, 4-chloro- are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.986; (4)ACD/LogD (pH 7.4): 0.986; (5)ACD/BCF (pH 5.5): 3.305; (6)ACD/BCF (pH 7.4): 3.305; (7)ACD/KOC (pH 5.5): 81.897; (8)ACD/KOC (pH 7.4): 81.897; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 37.473 cm3; (15)Molar Volume: 104.742 cm3; (16)Polarizability: 14.855×10-24cm3; (17)Surface Tension: 58.159 dyne/cm; (18)Density: 1.476 g/cm3; (19)Flash Point: 93.416 °C; (20)Enthalpy of Vaporization: 44.851 kJ/mol; (21)Boiling Point: 230.852 °C at 760 mmHg; (22)Vapour Pressure: 0.098 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1coc2c1c(ncn2)Cl
(2)InChI: InChI=1/C6H3ClN2O/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
(3)InChIKey: RXNNSCCBHMRHIX-UHFFFAOYAI

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