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| CAS No.: | 473923-97-6 |
|---|---|
| Name: | 3-chloro-5-hydroxy-benzonitrile |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C7H4Cl NO |
| Molecular Weight: | 153.568 |
| Synonyms: | 3-Chloro-5-hydroxybenzonitrile;benzonitrile, 3-chloro-5-hydroxy-; |
| EINECS: | 691-717-3 |
| Density: | 1.415g/cm3 |
| Melting Point: | 168.0 to 172.0 °C |
| Boiling Point: | 265.405 °C at 760 mmHg |
| Flash Point: | 114.313 °C |
| PSA: | 44.02000 |
| LogP: | 1.91728 |
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Specification
The 3-Chloro-5-hydroxybenzonitrile with the cas number 473923-97-6, is also called benzonitrile, 3-chloro-5-hydroxy- and 3-chloro-5-hydroxy-benzonitrile. It belongs to the following product categories: Phenyls & Phenyl-He. And it should be stored at a cool environment to ensure safety.
Physical properties about this chemical are: (1)ACD/LogP: 2.40 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3 ; (4)ACD/LogD (pH 7.4): 3 ; (5)ACD/BCF (pH 5.5): 68 ; (6)ACD/BCF (pH 7.4): 43 ; (7)ACD/KOC (pH 5.5): 711 ; (8)ACD/KOC (pH 7.4): 446 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 44.02Å2 ; (13)Index of Refraction: 1.611 ; (14)Molar Refractivity: 37.676 cm3 ; (15)Molar Volume: 108.505 cm3 ; (16)Polarizability: 14.936 ×10-24cm3 ; (17)Surface Tension: 62.742 dyne/cm ; (18)Density: 1.415 g/cm3 ; (19)Flash Point: 114.313 °C ; (20)Enthalpy of Vaporization: 52.362 kJ/mol ; (21)Boiling Point: 265.405 °C at 760 mmHg ; (22)Vapour Pressure: 0.006 mmHg at 25°C
You can still convert the following datas into molecular structure :
(1) SMILES: Oc1cc(C#N)cc(Cl)c1
(2) InChI:InChI=1/C7H4ClNO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H