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

Name
3,5-DIFLUORO-4-FORMYLBENZONITRILE, 97%
EINECS
CAS No. 467442-15-5
Article Data10
CAS DataBase
Density 1.357 g/cm³
Solubility
Melting Point 97-101 °C
Formula C₈H₃F₂NO
Boiling Point 261.91oC at 760 mmHg
Molecular Weight 167.115
Flash Point 112.199oC
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 3,5-Difluoro-4-formylbenzonitrile;4-Cyano-2,6-difluorobenzaldehyde;
PSA 40.86000
LogP 1.64898

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

Product Name

3,5-DIFLUORO-4-FORMYLBENZONITRILE, 97%

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

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