CAS No.27563-65-1,3-chlorophthalic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27563-65-1
Name:	3-chlorophthalic acid
Article Data:	19

Formula:	C₈H₅ClO₄
Molecular Weight:	200.578
Synonyms:	Phthalicacid, 3-chloro- (6CI,7CI,8CI);3-Chlorophthalic acid;NSC 62536;
EINECS:	248-527-7
Density:	1.586 g/cm³
Boiling Point:	387.7 °C at 760 mmHg
Flash Point:	188.3 °C
Solubility:	21.2g/L(14 oC)
PSA:	74.60000
LogP:	1.73640

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Specification

This chemical is called 3-Chlorophthalic acid, and it can also be named as 1,2-benzenedicarboxylic acid, 3-chloro-. With the molecular formula of C₈H₅ClO₄, its molecular weight is 200.57. The CAS registry number of this chemical is 27563-65-1.

Other characteristics of the 3-Chlorophthalic acid can be summarised as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.29; (4)ACD/LogD (pH 7.4): -2.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 45 cm³; (15)Molar Volume: 126.4 cm³; (16)Polarizability: 17.84×10^-24cm³; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 1.586 g/cm³; (19)Flash Point: 188.3 °C; (20)Enthalpy of Vaporization: 67.17 kJ/mol; (21)Boiling Point: 387.7 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(cccc1Cl)C(=O)O
2.InChI: InChI=1/C8H5ClO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
3.InChIKey: BKFXSOCDAQACQM-UHFFFAOYAB