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Benzonitrile, 3,5-difluoro-4-formyl-

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Name

Benzonitrile, 3,5-difluoro-4-formyl-

EINECS N/A
CAS No. 467442-15-5 Density 1.357 g/cm3
PSA 40.86000 LogP 1.64898
Solubility N/A Melting Point 97-101 °C
Formula C8H3F2NO Boiling Point 261.91oC at 760 mmHg
Molecular Weight 167.115 Flash Point 112.199oC
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 467442-15-5 (3,5-DIFLUORO-4-FORMYLBENZONITRILE, 97%) Hazard Symbols HarmfulXn
Synonyms

3,5-Difluoro-4-formylbenzonitrile;4-Cyano-2,6-difluorobenzaldehyde;

Article Data 10

Benzonitrile, 3,5-difluoro-4-formyl- Specification

This chemical is called Benzonitrile, 3,5-difluoro-4-formyl-, and its systematic name is 3,5-Difluoro-4-formylbenzonitrile. With the molecular formula of C8H3F2NO, its molecular weight is 167.11. The CAS registry number of this chemical is 467442-15-5. Additionally, its product categories are Aldehydes; C8; Carbonyl Compounds.

Other characteristics of the Benzonitrile, 3,5-difluoro-4-formyl- can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 100; (8)ACD/KOC (pH 7.4): 100; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.86 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 36.514 cm3; (15)Molar Volume: 123.164 cm3; (16)Polarizability: 14.475×10-24cm3; (17)Surface Tension: 42.732 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 112.199 °C; (20)Enthalpy of Vaporization: 49.967 kJ/mol; (21)Boiling Point: 261.91 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=Cc1c(F)cc(cc1F)C#N
2.InChI: InChI=1/C8H3F2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H
3.InChIKey: GOBXWYWTZCKDBF-UHFFFAOYAY

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