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L-Chlorosuccinic acid

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Name

L-Chlorosuccinic acid

EINECS 224-092-9
CAS No. 4198-33-8 Density 1.595 g/cm3
PSA 74.60000 LogP 0.15310
Solubility N/A Melting Point 150-153 °C
Formula C4H5ClO4 Boiling Point 235.8 °C at 760 mmHg
Molecular Weight 152.534 Flash Point 96.4 °C
Transport Information UN 3261 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 4198-33-8 ((S)-2-CHLOROSUCCINIC ACID) Hazard Symbols CorrosiveC
Synonyms

Butanedioicacid, chloro-, (S)-;Succinic acid, chloro-, (S)- (8CI);(-)-Chlorosuccinicacid;(S)-Chlorosuccinic acid;L-Chlorosuccinic acid;

Article Data 9

L-Chlorosuccinic acid Specification

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

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