Butanedioic acid,chloro-, (2S)- (9CI) (4198-33-8)

The L-Chlorosuccinic acid with the cas number 4198-33-8 is also called Butanedioic acid,chloro-, (2S)- (9CI). The IUPAC name is (2R)-2-chlorobutanedioic acid. Its EINECS registry number is 224-092-9. The molecular formula is C₄H₅ClO₄. This chemical should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.85; (4)ACD/LogD (pH 7.4): -4.8; (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: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 28.51 cm³; (15)Molar Volume: 95.5 cm³; (16)Polarizability: 11.3×10^-24cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Enthalpy of Vaporization: 52.06 kJ/mol; (19)Vapour Pressure: 0.0168 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical can cause burns. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(Cl)C(=O)O
(2)InChI: InChI=1/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
(3)InChIKey: QEGKXSHUKXMDRW-UHFFFAOYAU