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CAS No.: | 4044-60-4 |
---|---|
Name: | 2,5-DIMETHYLBENZOPHENONE |
Article Data: | 70 |
Molecular Structure: | |
Formula: | C15H14O |
Molecular Weight: | 210.276 |
Synonyms: | Benzophenone,2,5-dimethyl- (6CI,7CI,8CI);2,5-Dimethylbenzophenone;2,5-Dimethylphenylphenyl ketone;NSC 82305; |
EINECS: | 223-740-8 |
Density: | 1.05 g/cm3 |
Melting Point: | 33-36 °C(lit.) |
Boiling Point: | 317 °C at 760 mmHg |
Flash Point: | 153.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 17.07000 |
LogP: | 3.53440 |
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The CAS register number of Methanone,(2,5-dimethylphenyl)phenyl- is 4044-60-4. It also can be called as 2,5-dimethylphenyl phenyl ketone and the systematic name about this chemical is (2,5-dimethylphenyl)(phenyl)methanone. The molecular formula about this chemical is C15H14O and the molecular weight is 210.27. It belongs to the Aromatic Benzophenones & Derivatives (substituted).
Physical properties about Methanone,(2,5-dimethylphenyl)phenyl- are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 769.34; (5)ACD/BCF (pH 7.4): 769.34; (6)ACD/KOC (pH 5.5): 4050.26; (7)ACD/KOC (pH 7.4): 4050.26; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 65.69 cm3; (13)Molar Volume: 200 cm3; (14)Polarizability: 26.04x10-24cm3; (15)Surface Tension: 39.6 dyne/cm; (16)Flash Point: 133.6 °C; (17)Enthalpy of Vaporization: 55.84 kJ/mol; (18)Boiling Point: 317 °C at 760 mmHg; (19)Vapour Pressure: 0.000396 mmHg at 25°C.
Preparation: this chemical can be prepared by benzoyl chloride and 1,4-dimethyl-benzene. This reaction will need reagent CS2, AlCl3.
Uses of Methanone,(2,5-dimethylphenyl)phenyl-: it can be used to produce benzoyl-terephthalic acid. This reaction will need reagent aq. KMnO4.
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 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(c1cc(ccc1C)C)c2ccccc2
(2)InChI: InChI=1/C15H14O/c1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
(3)InChIKey: PJCBRWRFLHBSNH-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C15H14O/c1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
(5)Std. InChIKey: PJCBRWRFLHBSNH-UHFFFAOYSA-N