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57543-67-6

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Basic Information
CAS No.: 57543-67-6
Name: 6-CHLORO-2H-CHROMENE-3-CARBONITRILE
Article Data: 13
Molecular Structure:
Molecular Structure of 57543-67-6 (6-CHLORO-2H-CHROMENE-3-CARBONITRILE)
Formula: C10H6ClNO
Molecular Weight: 191.617
Synonyms: 6-Chloro-2H-chromene-3-carbonitrile;BUTTPARK 48\08-16;
Density: 1.35 g/cm3
Melting Point: 135-137 °C
Boiling Point: 346.7 °C at 760 mmHg
Flash Point: 163.5 °C
PSA: 33.02000
LogP: 2.63938
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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