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135748-34-4

Basic Information
CAS No.: 135748-34-4
Name: 2-Chloro-4,5-difluorobenzonitrile
Article Data: 2
Molecular Structure:
Molecular Structure of 135748-34-4 (2-Chloro-4,5-difluorobenzonitrile)
Formula: C7H2ClF2N
Molecular Weight: 173.55
Synonyms: 2-Chloro-4,5-difluorobenzonitrile;
Density: 1.43g/cm3
Melting Point: 33-36℃
Boiling Point: 231.5 °C at 760 mmHg
Flash Point: 93.8 °C
Appearance: 26-36/37/39
Hazard Symbols: Xn
Risk Codes: 20/21/22-36/37/38
Safety: 20/21/22-36/37/38
PSA: 23.79000
LogP: 2.48988
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    2-Chloro-4,5-difluorobenzonitrile

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Specification

The 2-Chloro-4,5-difluorobenzonitrile is an organic compound with the formula C7H2ClF2N. The IUPAC name of this chemical is 2-chloro-4,5-difluorobenzonitrile. With the CAS registry number 135748-34-4, it is also named as 2-chloro-4,5-difluoro-benzonitrile. The product's category is Nitrile.

Physical properties about 2-Chloro-4,5-difluorobenzonitrile are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 7.96; (5)ACD/BCF (pH 7.4): 7.96; (6)ACD/KOC (pH 5.5): 153.67; (7)ACD/KOC (pH 7.4): 153.67; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79Å2; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 36.37 cm3; (12)Molar Volume: 120.9 cm3; (13)Polarizability: 14.41×10-24cm3; (14)Surface Tension: 40.3 dyne/cm; (15)Density: 1.43 g/cm3; (16)Flash Point: 93.8 °C; (17)Enthalpy of Vaporization: 46.81 kJ/mol; (18)Boiling Point: 231.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0622 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: N#Cc1cc(F)c(F)cc1Cl
(2)InChI: InChI=1/C7H2ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
(3)InChIKey: AKZDICFDUJUQRX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H2ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
(5)Std. InChIKey: AKZDICFDUJUQRX-UHFFFAOYSA-N