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13235-60-4

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Basic Information
CAS No.: 13235-60-4
Name: 4-methoxyisophthaloyl dichloride
Article Data: 8
Molecular Structure:
Molecular Structure of 13235-60-4 (4-methoxyisophthaloyl dichloride)
Formula: C9H6Cl2O3
Molecular Weight: 233.051
Synonyms: 4-Methoxy-1,3-benzenedicarbonyldichloride;4-Methoxyisophthalic acid dichloride;4-Methoxyisophthaloyldichloride;
EINECS: 236-209-0
Density: 1.401 g/cm3
Boiling Point: 344.5 °C at 760 mmHg
Flash Point: 151.9 °C
PSA: 43.37000
LogP: 2.45320
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Specification

The 1,3-Benzenedicarbonyldichloride, 4-methoxy-, with the CAS registry number 13235-60-4, is also known as 4-Methoxyisophthaloyl dichloride. Its EINECS number is 236-209-0. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C9H6Cl2O3 and molecular weight is 233.05. What's more, its systematic name is 4-Methoxybenzene-1,3-dicarbonyl dichloride.

Physical properties of 1,3-Benzenedicarbonyldichloride, 4-methoxy- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.39; (6)ACD/BCF (pH 7.4): 43.39; (7)ACD/KOC (pH 5.5): 517.17; (8)ACD/KOC (pH 7.4): 517.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 53.42 cm3; (15)Molar Volume: 166.2 cm3; (16)Polarizability: 21.17×10-24 cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 151.9 °C; (20)Enthalpy of Vaporization: 58.85 kJ/mol; (21)Boiling Point: 344.5 °C at 760 mmHg; (22)Vapour Pressure: 6.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc(OC)c(C(Cl)=O)c1
(2)InChI: InChI=1S/C9H6Cl2O3/c1-14-7-3-2-5(8(10)12)4-6(7)9(11)13/h2-4H,1H3
(3)InChIKey: FKPCRVTXBLUQBV-UHFFFAOYSA-N