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| CAS No.: | 1470-79-7 | ||||||||
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| Name: | 2,4,4'-TRIHYDROXYBENZOPHENONE | ||||||||
| Article Data: | 11 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C13H10 O4 | ||||||||
| Molecular Weight: | 230.22 | ||||||||
| Synonyms: | Benzophenone,2,4,4'-trihydroxy- (6CI,7CI,8CI);2,4,4'-Trihydroxybenzophenone;2,4-Dihydroxyphenyl p-hydroxybenzyl ketone;NSC 76052; | ||||||||
| EINECS: | 216-004-2 | ||||||||
| Density: | 1.413g/cm3 | ||||||||
| Melting Point: |
197-198 °C(lit.) |
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| Boiling Point: | 488°Cat760mmHg | ||||||||
| Flash Point: | 263°C | ||||||||
| Solubility: | Slightly soluble in water | ||||||||
| Appearance: | orange powder or chunks | ||||||||
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 | ||||||||
| Safety: |
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| PSA: | 77.76000 | ||||||||
| LogP: | 2.03440 | ||||||||
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Specification
2,4,4'-Trihydroxybenzophenone , with the CAS register number 1470-79-7, has the systematic name of
(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone . And it also has other names such as 2,4-Dihydroxyphenyl p-hydroxybenzyl ketone ,Methanone, (2,4-dihydroxyphenyl)(4-hydroxyphenyl)- ,2,4,4'-TRIHYDROXYBENZOPHENONE ,(2,4-DIHYDROXY-PHENYL)-(4-HYDROXY-PHENYL)-METHANONEc ,LABOTEST-BB LT00159581 ,TRIHYDROXYBENZOPHENONE , and 2,4,4-TRIHYDROXYBENZOPHENONE 98+% .
The characteristics of this kind of chemical are as follows: (1)ACD/BCF (pH 5.5): 85.83 ; (2)ACD/BCF (pH 7.4): 29.67 ; (3)ACD/KOC (pH 5.5): 838.14 ; (4)ACD/KOC (pH 7.4): 289.74 ; (5)#H bond acceptors: 4 ; (6)#H bond donors: 3 ; (7)#Freely Rotating Bonds: 5 ; (8)Polar Surface Area: 44.76; (9)Index of Refraction: 1.682 ; (10)Molar Refractivity: 61.69 cm3 ; (11)Molar Volume: 162.8 cm3 ; (12)Polarizability: 24.45 ×10-24cm3 ; (13)Surface Tension: 70.5 dyne/cm ; (14)Density: 1.413 g/cm3 ; (15)Flash Point: 263 °C ; (16)Enthalpy of Vaporization: 78.27 kJ/mol ; (17)Boiling Point: 488 °C at 760 mmHg ; (18)Vapour Pressure: 3.8E-10 mmHg at 25°C .
This is a kind of orange powder or chunks and it is usually being used in the chemical reagent, organic intermediate, fined chemistry and the medicine research. As for its relevant categories, it belongs to many fields, such as Industrial/Fine Chemicals, Benzophenones (for High-Performance Polymer Research), Functional Materials, Reagent for High-Performance Polymer Research, C13 to C14, Carbonyl Compounds, and Ketones.
Being a kind of chemicals that is irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. As for these dangerous indication, we should be very cautious while using this kind of chemical. Wear suitable protective clothing and gloves and avoid contact with skin and eyes. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you need more safety information, you could also refer to the WGK Germany 3.
In addition, you could also convert the following data information to the molecular structure：
SMILES:
O=C(c1ccc(O)cc1O)c2ccc(O)cc2
InChI:
InChI=1/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
InChIKey:
OKJFKPFBSPZTAH-UHFFFAOYAE
When it comes to the market information, there are many suppliers around the world, such as J & K SCIENTIFIC LTD. which could provide this chemical with the packing of 1GR.