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CAS No.: | 7396-92-1 |
---|---|
Name: | 3,5-DICHLORO-2-HYDROXYBENZOPHENONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H8Cl2O2 |
Molecular Weight: | 267.111 |
Synonyms: | Benzophenone,3,5-dichloro-2-hydroxy- (6CI,7CI,8CI);(3,5-Dichloro-2-hydroxyphenyl)(phenyl)methanone;3,5-Dichloro-2-hydroxybenzophenone;3,5-Dichloro-2-hydroxyphenyl phenyl ketone; |
Density: | 1.406 g/cm3 |
Melting Point: | 115 °C |
Boiling Point: | 376.5 °C at 760 mmHg |
Flash Point: | 181.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 3.93000 |
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The CAS registry number of Methanone,(3,5-dichloro-2-hydroxyphenyl)phenyl- is 7396-92-1. The systematic name is (3,5-dichloro-2-hydroxyphenyl)(phenyl)methanone. In addition, the molecular formula is C13H8Cl2O2 and the molecular weight is 267.11. It should be stored in a cool and dry place.
Physical properties about Methanone,(3,5-dichloro-2-hydroxyphenyl)phenyl- are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 5506.36; (6)ACD/BCF (pH 7.4): 277.11; (7)ACD/KOC (pH 5.5): 15297.33; (8)ACD/KOC (pH 7.4): 769.84; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 67.71 cm3; (15)Molar Volume: 189.8 cm3; (16)Polarizability: 26.84 ×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 64.86 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 3.34E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)cc(C(=O)c1ccccc1)c2O
(2)InChI: InChI=1/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H
(3)InChIKey: KQEKLTCGLCEOFY-UHFFFAOYAV