Basic information
- Name:
Methanone,(4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-
- Superlist Name:
- 2,3,4,4'-Tetrahydroxybenzophenone
- CAS No.:
31127-54-5
- Molecular Structure:
- Formula:
- C13H10O5
- Molecular Weight:
- 246.22
- Synonyms:
- Benzophenone,2,3,4,4'-tetrahydroxy- (8CI);4,2',3',4'-Tetrahydroxybenzophenone;HBP 2344;
- Density:
- 1.526 g/cm3
- Melting Point:
- 199-204 °C
- Boiling Point:
- 519 °C at 760 mmHg
- Flash Point:
- 281.7 °C
- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37/39 Details
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Specification
The CAS register number of Methanone,(4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)- is 31127-54-5. It also can be called as 2,3,4,4'-Tetrahydroxybenzophenone and the systematic name about this chemical is (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone. The molecular formula about this chemical is C13H10O5 and the molecular weight is 246.22. It belongs to the following product categories which include RAW material for Photo Active Compounds; Industrial/Fine Chemicals; Aromatic Benzophenones & Derivatives (substituted) and so on.
Physical properties about Methanone,(4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)- are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.68; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 63.46; (5)ACD/BCF (pH 7.4): 16.19; (6)ACD/KOC (pH 5.5): 673.5; (7)ACD/KOC (pH 7.4): 171.88; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 53.99Å2; (12)Index of Refraction: 1.718; (13)Molar Refractivity: 63.57 cm3; (14)Molar Volume: 161.2 cm3; (15)Polarizability: 25.2x10-24cm3; (16)Surface Tension: 83.1 dyne/cm; (17)Enthalpy of Vaporization: 82.15 kJ/mol; (18)Boiling Point: 519 °C at 760 mmHg; (19)Vapour Pressure: 2.17E-11 mmHg at 25°C .
When you are using this chemical, please be cautious about it as the following:
This chemical 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: O=C(c1c(O)c(O)c(O)cc1)c2ccc(O)cc2
(2)InChI: InChI=1/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
(3)InChIKey: ZRDYULMDEGRWRC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
(5)Std. InChIKey: ZRDYULMDEGRWRC-UHFFFAOYSA-N