The 1,2,4-Benzenetricarbonyltrichloride is an organic compound with the formula C9H3Cl3O3. The IUPAC name of this chemical is benzene-1,2,4-tricarbonyl chloride. With the CAS registry number 3867-55-8, it is also named as trimellitic chloride. The product's category is Acid Chlorides.
Physical properties about 1,2,4-Benzenetricarbonyltrichloride are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 35.72; (5)ACD/BCF (pH 7.4): 35.72; (6)ACD/KOC (pH 5.5): 449.94; (7)ACD/KOC (pH 7.4): 449.94; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 51.21 Å2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 56.98 cm3; (13)Molar Volume: 168.6 cm3; (14)Polarizability: 22.59×10-24cm3; (15)Surface Tension: 54.7 dyne/cm; (16)Density: 1.574 g/cm3; (17)Flash Point: 159.1 °C; (18)Enthalpy of Vaporization: 62.4 kJ/mol; (19)Boiling Point: 376.4 °C at 760 mmHg; (20)Vapour Pressure: 7.27E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cc(ccc1C(Cl)=O)C(Cl)=O
(2)InChI: InChI=1/C9H3Cl3O3/c10-7(13)4-1-2-5(8(11)14)6(3-4)9(12)15/h1-3H
(3)InChIKey: CJPIDIRJSIUWRJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H3Cl3O3/c10-7(13)4-1-2-5(8(11)14)6(3-4)9(12)15/h1-3H
(5)Std. InChIKey: CJPIDIRJSIUWRJ-UHFFFAOYSA-N
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