CAS No.175205-57-9,4-CHLORO-3-CYANO-6-FLUORO-2H-BENZOPYRAN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	175205-57-9
Name:	4-CHLORO-3-CYANO-6-FLUORO-2H-BENZOPYRAN

Formula:	C₁₀H₅ClFNO
Molecular Weight:	209.6
Synonyms:	4-Chloro-3-cyano-6-fluoro-2h-benzopyran;4-Chloro-3-cyano-6-fluoro-2H-benzopyran 97%;4-Chloro-3-cyano-6-fluoro-2H-benzopyran97%;4-chloro-6-fluoro-2H-chromene-3-carbonitrile;
Density:	1.43g/cm³
Melting Point:	98-101°C
Boiling Point:	343.4 °C at 760 mmHg
Flash Point:	161.5 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	3439
PSA:	33.02000
LogP:	2.69158

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Specification

The CAS register number of 2H-1-Benzopyran-3-carbonitrile,4-chloro-6-fluoro- is 175205-57-9. It also can be called as 4-Chloro-3-cyano-6-fluoro-2h-benzopyran and the systematic name about this chemical is 4-chloro-6-fluoro-2H-chromene-3-carbonitrile. The molecular formula about this chemical is C₁₀H₅ClFNO and the molecular weight is 209.6.

Physical properties about 2H-1-Benzopyran-3-carbonitrile,4-chloro-6-fluoro- are: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.16; (3)ACD/LogD (pH 7.4): 3.16; (4)ACD/BCF (pH 5.5): 149.16; (5)ACD/BCF (pH 7.4): 149.16; (6)ACD/KOC (pH 5.5): 1251.71; (7)ACD/KOC (pH 7.4): 1251.71; (8)#H bond acceptors: 2; (9)Polar Surface Area: 33.02 Å²; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 49.3 cm³; (12)Molar Volume: 146 cm³; (13)Polarizability: 19.54x10^-24cm³; (14)Surface Tension: 50.1 dyne/cm; (15)Density: 1.43 g/cm³; (16)Flash Point: 161.5 °C; (17)Enthalpy of Vaporization: 58.73 kJ/mol; (18)Boiling Point: 343.4 °C at 760 mmHg; (19)Vapour Pressure: 7.05E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc1OCC(/C#N)=C(/Cl)c1c2
(2)InChI: InChI=1/C10H5ClFNO/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3H,5H2
(3)InChIKey: LTQZKNVFNOGFJL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H5ClFNO/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3H,5H2
(5)Std. InChIKey: LTQZKNVFNOGFJL-UHFFFAOYSA-N