Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloro-2-formylbenzonitrile |
EINECS | N/A |
CAS No. | 77532-86-6 | Density | 1.32 g/cm3 |
PSA | 40.86000 | LogP | 2.02418 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H4ClNO | Boiling Point | 323.5 °C at 760 mmHg |
Molecular Weight | 165.579 | Flash Point | 149.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-2-Cyanobenzaldehyde; |
Article Data | 4 |
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