5-Isoxazoleacetic acid,a-amino-3-chloro-4,5-dihydro-, (aS,5S)- supplier

Name
ACIVICIN
EINECS
CAS No. 42228-92-2
Article Data4
CAS DataBase
Density 1.85 g/cm³
Solubility Soluble in water at 10mg/ml with warming
Melting Point >200°C (dec.)
Formula C₅H₇ClN₂O₃
Boiling Point 341.6 °C at 760 mmHg
Molecular Weight 178.57
Flash Point 160.4 °C
Transport Information
Appearance 36
Safety 20/21/22
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Isoxazoleaceticacid, a-amino-3-chloro-4,5-dihydro-,[S-(R*,R*)]-;(a-S,5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleaceticacid;Acivicin;Antibiotic AT 125;
PSA 84.91000
LogP -0.12460

5-Isoxazoleacetic acid,a-amino-3-chloro-4,5-dihydro-, (aS,5S)- Specification

The 5-Isoxazoleacetic acid,a-amino-3-chloro-4,5-dihydro-, (aS,5S)-, with its CAS registry number 42228-92-2, has its IUPAC name of (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid. With its molecular formula of C₅H₇ClN₂O₃ and molecular weight of 178.57, it could also be named as Acivicin. Besides, it could be kept sealed in the temperature of 2 ºC -8 ºC.

Physical properties of 5-Isoxazoleacetic acid,a-amino-3-chloro-4,5-dihydro-, (aS,5S)-: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 51.13 Å²; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 35.69 cm³; (13)Molar Volume: 96.2 cm³; (14)Polarizability: 14.15×10^-24cm³; (15)Surface Tension: 70.3 dyne/cm; (16)Density: 1.85 g/cm³; (17)Flash Point: 160.4 °C; (18)Enthalpy of Vaporization: 64.32 kJ/mol; (19)Boiling Point: 341.6 °C at 760 mmHg; (20)Vapour Pressure: 1.45E-05 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being harmful to our body, it may cause damage to health. And it is harmful if by inhalation, in contact with skin and if swallowed. Therefore, you shuold wear suitable protective clothing if using it.

You can still convert the following datas into molecular structure:
(1)SMILES:Cl\C1=N\O[C@H]([C@@H](C(=O)O)N)C1
(2)InChI:InChI=1/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
(3)InChIKey:QAWIHIJWNYOLBE-OKKQSCSOBX

Product Name

ACIVICIN

5-Isoxazoleacetic acid,a-amino-3-chloro-4,5-dihydro-, (aS,5S)- Specification

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