5-Chloro-2-formylbenzonitrile supplier

Name
2-CHLORO-6-FORMYLBENZONITRILE
EINECS
CAS No. 77532-86-6
Article Data4
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₈H₄ClNO
Boiling Point 323.5 °C at 760 mmHg
Molecular Weight 165.579
Flash Point 149.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-2-Cyanobenzaldehyde;
PSA 40.86000
LogP 2.02418

5-Chloro-2-formylbenzonitrile Specification

The 5-Chloro-2-formylbenzonitrile with CAS registry number of 77532-86-6 is also called 3-Chloro-2-Cyanobenzaldehyde. The IUPAC name is 2-Chloro-6-formylbenzonitrile. In addition, the formula is C₈H₄ClNO and the molecular weight is 165.5765.

Physical properties about this chemical are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.47; (6)ACD/BCF (pH 7.4): 20.47; (7)ACD/KOC (pH 5.5): 302.04; (8)ACD/KOC (pH 7.4): 302.04; (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: 1.573; (14)Molar Refractivity: 41.11 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 16.29 ×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 149.5 °C; (20)Enthalpy of Vaporization: 56.55 kJ/mol; (21)Boiling Point: 323.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cccc1Cl)C=O
(2)InChI: InChI=1/C8H4ClNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H
(3)InChIKey: YJNHLGKBKBWMNT-UHFFFAOYAN

Product Name

2-CHLORO-6-FORMYLBENZONITRILE

5-Chloro-2-formylbenzonitrile Specification

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