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121050-04-2

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Basic Information
CAS No.: 121050-04-2
Name: CIS-AZETIDINE-2,4-DICARBOXYLIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 121050-04-2 (CIS-AZETIDINE-2,4-DICARBOXYLIC ACID)
Formula: C5H7NO4
Molecular Weight: 145.11
Synonyms: 2,4-Azetidinedicarboxylicacid, cis-;
Density: 1.5047 (rough estimate)
Melting Point: 259-260 °C
Boiling Point: 352.5 °C at 760 mmHg
Flash Point: 167 °C
Solubility: water: 7.5 mg/mL
Appearance: white to off-white solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 86.63000
LogP: -0.78510
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Specification

The CAS registry number of 2,4-Azetidinedicarboxylicacid, (2R,4S)-rel- is 121050-04-2. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C5H7NO4 and molecular weight is 145.11. Its systematic name is called (2R,4S)-azetidinium-2,4-dicarboxylate. What's more, this chemical is a white to off-white solid which should be stored in cool and dry place at 0-6 °C.

Physical properties of 2,4-Azetidinedicarboxylicacid, (2R,4S)-rel-: (1)ACD/LogP: -0.87; (2)ACD/LogD (pH 5.5): -4.36; (3)ACD/LogD (pH 7.4): -4.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 167 °C; (12)Enthalpy of Vaporization: 65.63 kJ/mol; (13)Boiling Point: 352.5 °C at 760 mmHg; (14)Vapour Pressure: 6.48E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H]1[NH2+][C@H](C(=O)[O-])C1
(2)InChI: InChI=1/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/p-1/t2-,3+
(3)InChIKey: JMVIGOFRIJJUAW-GCWBTYGSBM