2H-1-Benzopyran-3-carbonitrile,6-chloro- supplier

Name
6-CHLORO-2H-CHROMENE-3-CARBONITRILE
EINECS
CAS No. 57543-67-6
Article Data13
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 135-137 °C
Formula C₁₀H₆ClNO
Boiling Point 346.7 °C at 760 mmHg
Molecular Weight 191.617
Flash Point 163.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-2H-chromene-3-carbonitrile;BUTTPARK 48\08-16;
PSA 33.02000
LogP 2.63938

2H-1-Benzopyran-3-carbonitrile,6-chloro- Specification

The CAS register number of 2H-1-Benzopyran-3-carbonitrile,6-chloro- is 57543-67-6. The systematic name about this chemical is 6-chloro-2H-chromene-3-carbonitrile. The molecular formula about this chemical is C₁₀H₆ClNO and the molecular weight is 191.61. This chemical is irritant.

Physical properties about 2H-1-Benzopyran-3-carbonitrile,6-chloro- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.01; (5)ACD/BCF (pH 7.4): 183.01; (6)ACD/KOC (pH 5.5): 1449.07; (7)ACD/KOC (pH 7.4): 1449.07; (8)#H bond acceptors: 2; (9)Polar Surface Area: 33.02 Å²; (10)Index of Refraction: 1.618; (11)Molar Refractivity: 49.41 cm³; (12)Molar Volume: 141 cm³; (13)Polarizability: 19.58x10^-24cm³; (14)Surface Tension: 54.5 dyne/cm; (15)Density: 1.35 g/cm³; (16)Flash Point: 163.5 °C; (17)Enthalpy of Vaporization: 59.09 kJ/mol; (18)Boiling Point: 346.7 °C at 760 mmHg; (19)Vapour Pressure: 5.66E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1OCC(/C#N)=C\c1c2
(2)InChI: InChI=1/C10H6ClNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4H,6H2
(3)InChIKey: KHQQZPGTELLAOG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H6ClNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-4H,6H2
(5)Std. InChIKey: KHQQZPGTELLAOG-UHFFFAOYSA-N

Product Name

6-CHLORO-2H-CHROMENE-3-CARBONITRILE

2H-1-Benzopyran-3-carbonitrile,6-chloro- Specification

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