3-Fluoro-5-formylbenzonitrile supplier

Name
3-Fluoro-5-formylbenzonitrile
EINECS
CAS No. 1003708-42-6
Article Data5
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₈H₄FNO
Boiling Point 205.165 °C at 760 mmHg
Molecular Weight 149.124
Flash Point 77.882 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyano-5-fluorobenzaldehyde;
PSA 40.86000
LogP 1.50988

3-Fluoro-5-formylbenzonitrile Specification

The 3-Fluoro-5-formylbenzonitrile, with the CAS registry number of 1003708-42-6, is also known as 3-Cyano-5-fluorobenzaldehyde. Its molecular formula is C₈H₄FNO and molecular weight is 149.12. What's more, its systematic name is 3-Fluoro-5-formyl-benzonitrile.

Physical properties about the 3-Fluoro-5-formylbenzonitrile are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.328; (4)ACD/LogD (pH 7.4): 1.328; (5)ACD/BCF (pH 5.5): 6.013; (6)ACD/BCF (pH 7.4): 6.013; (7)ACD/KOC (pH 5.5): 125.684; (8)ACD/KOC (pH 7.4): 125.684; (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: 1.527; (14)Molar Refractivity: 36.402 cm³; (15)Molar Volume: 118.363 cm³; (16)Surface Tension: 45.584 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 77.882 °C; (19)Enthalpy of Vaporization: 44.14 kJ/mol; (20)Boiling Point: 205.165 °C at 760 mmHg; (21)Vapour Pressure: 0.254 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(cc1C#N)F)C=O
(2) InChI: InChI=1/C8H4FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
(3) InChIKey: MJDZWYNXMPFSJE-UHFFFAOYAD

Product Name

3-Fluoro-5-formylbenzonitrile

3-Fluoro-5-formylbenzonitrile Specification

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