2H-1-Benzopyran-3-carbonitrile supplier

Name
2H-CHROMENE-3-CARBONITRILE
EINECS 604-604-1
CAS No. 57543-66-5
Article Data35
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₀H₇NO
Boiling Point 305.8 °C at 760 mmHg
Molecular Weight 157.172
Flash Point 128.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chromenecarbonitrile;3-Cyanochromene;NSC 279236;2H-Chromene-3-carbonitrile;
PSA 33.02000
LogP 1.98598

2H-1-Benzopyran-3-carbonitrile Specification

The CAS register number of 2H-1-Benzopyran-3-carbonitrile is 57543-66-5. It also can be called as 3-Cyanochromene and the IUPAC name about this chemical is 2H-chromene-3-carbonitrile. The molecular formula about this chemical is C₁₀H₇NO and the molecular weight is 157.17.

Physical properties about 2H-1-Benzopyran-3-carbonitrile are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54.11; (5)ACD/BCF (pH 7.4): 54.11; (6)ACD/KOC (pH 5.5): 605.73; (7)ACD/KOC (pH 7.4): 605.73; (8)#H bond acceptors: 2; (9)Polar Surface Area: 33.02 Å²; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 44.58 cm³; (12)Molar Volume: 129.9 cm³; (13)Polarizability: 17.67x10^-24cm³; (14)Surface Tension: 50.4 dyne/cm; (15)Density: 1.2 g/cm³; (16)Flash Point: 128.9 °C; (17)Enthalpy of Vaporization: 54.63 kJ/mol; (18)Boiling Point: 305.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000801 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C1=C\c2c(OC1)cccc2
(2)InChI: InChI=1/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
(3)InChIKey: NQOLOKKZYCSJRL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
(5)Std. InChIKey: NQOLOKKZYCSJRL-UHFFFAOYSA-N

Product Name

2H-CHROMENE-3-CARBONITRILE

2H-1-Benzopyran-3-carbonitrile Specification

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