Products Categories
CAS No.: | 27563-65-1 |
---|---|
Name: | 3-chlorophthalic acid |
Article Data: | 19 |
Molecular Structure: | |
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 |
What can I do for you?
Get Best Price
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