2,4-Azetidinedicarboxylicacid, (2R,4S)-rel- supplier

Name
CIS-AZETIDINE-2,4-DICARBOXYLIC ACID
EINECS
CAS No. 121050-04-2
Article Data1
CAS DataBase
Density 1.5047 (rough estimate)
Solubility water: 7.5 mg/mL
Melting Point 259-260 °C
Formula C₅H₇NO₄
Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 145.11
Flash Point 167 °C
Transport Information
Appearance white to off-white solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Azetidinedicarboxylicacid, cis-;
PSA 86.63000
LogP -0.78510

2,4-Azetidinedicarboxylicacid, (2R,4S)-rel- 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

Product Name

CIS-AZETIDINE-2,4-DICARBOXYLIC ACID

2,4-Azetidinedicarboxylicacid, (2R,4S)-rel- Specification

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