Benzeneacetic acid,4-chloro-a-oxo- supplier

Name
4-Chlorobenzoylformic acid
EINECS
CAS No. 7099-88-9
Article Data99
CAS DataBase
Density 1.447 g/cm³
Solubility
Melting Point 94.5-95 °C
Formula C₈H₅ClO₃
Boiling Point 309 °C at 760 mmHg
Molecular Weight 184.579
Flash Point 140.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glyoxylicacid, (p-chlorophenyl)- (7CI,8CI);4-Chlorobenzoylformic acid;4-Chlorophenylglyoxylic acid;p-Chlorobenzoylformic acid;p-Chlorophenylglyoxylic acid;
PSA 54.37000
LogP 1.60730

Benzeneacetic acid,4-chloro-a-oxo- Specification

The Benzeneacetic acid, 4-chloro-a-oxo-, with the CAS registry number 7099-88-9, is also known as (4-Chlorophenyl)(oxo)acetic acid. This chemical's molecular formula is C₈H₅ClO₃ and molecular weight is 184.5765. What's more, its IUPAC name is 2-(4-Chlorophenyl)-2-oxoacetic acid.

Physical properties about Benzeneacetic acid, 4-chloro-a-oxo- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -2.29; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 42.74 cm³; (15)Molar Volume: 127.5 cm³; (16)Polarizability: 16.94×10^-24 cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.447 g/cm³; (19)Flash Point: 140.7 °C; (20)Enthalpy of Vaporization: 58.04 kJ/mol; (21)Boiling Point: 309 °C at 760 mmHg; (22)Vapour Pressure: 0.000284 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)C(=O)O
(2) InChI: InChI=1/C8H5ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
(3) InChIKey: RSAXVDMWQCQTDT-UHFFFAOYAK

Product Name

4-Chlorobenzoylformic acid

Benzeneacetic acid,4-chloro-a-oxo- Specification

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