CAS No.261762-55-4,3-CHLORO-2,6-DIFLUOROPHENYLACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	261762-55-4
Name:	3-CHLORO-2,6-DIFLUOROPHENYLACETONITRILE

Formula:	C₈H₄ClF₂N
Molecular Weight:	187.57
Synonyms:	3-Chloro-2,6-difluorophenylacetonitrile;3-Chloro-2,6-difluorobenzyl cyanide;3-Chloro-2,6-difluorophenylacetonitrile 97%;
EINECS:	-0
Density:	1.379 g/cm³
Boiling Point:	248.4 °C at 760 mmHg
Flash Point:	104 °C
Hazard Symbols:	T
Risk Codes:	20/21/22-36/37/38
Safety:	26-37/39
Transport Information:	3276
PSA:	23.79000
LogP:	2.68428

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Specification

The CAS register number of Benzeneacetonitrile,3-chloro-2,6-difluoro- is 261762-55-4. It also can be called as 3-Chloro-2,6-difluorobenzyl cyanide and the IUPAC name about this chemical is 2-(3-chloro-2,6-difluorophenyl)acetonitrile. The molecular formula about this chemical is C₈H₄ClF₂N and the molecular weight is 187.57.

Physical properties about Benzeneacetonitrile,3-chloro-2,6-difluoro- are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 29.9; (5)ACD/BCF (pH 7.4): 29.9; (6)ACD/KOC (pH 5.5): 396.22; (7)ACD/KOC (pH 7.4): 396.22; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 40.59 cm³; (13)Molar Volume: 136 cm³; (14)Polarizability: 16.09x10^-24cm³; (15)Surface Tension: 40.1 dyne/cm; (16)Density: 1.379 g/cm³; (17)Flash Point: 104 °C; (18)Enthalpy of Vaporization: 48.56 kJ/mol; (19)Boiling Point: 248.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0244 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. The chemical that at low levels causes damage to health. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, flame, light and heat.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)ccc1Cl)CC#N
(2)InChI: InChI=1/C8H4ClF2N/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2H,3H2
(3)InChIKey: NGGMFXRCXFGDMP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H4ClF2N/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2H,3H2
(5)Std. InChIKey: NGGMFXRCXFGDMP-UHFFFAOYSA-N