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

Name
4-chlorofuro[2,3-d]pyrimidine
EINECS
CAS No. 918340-51-9
Article Data4
CAS DataBase
Density 1.476 g/cm³
Solubility
Melting Point
Formula C₆H₃ClN₂O
Boiling Point 230.852 °C at 760 mmHg
Molecular Weight 154.556
Flash Point 93.416 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chlorofuro[2,3-d]pyrimidine;4-Chlorofuro[2,3-d]pyrimidine;
PSA 38.92000
LogP 1.87620

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

Product Name

4-chlorofuro[2,3-d]pyrimidine

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

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