L-Alanine, 3-chloro-,methyl ester, hydrochloride (9CI) supplier

Name
BETA-CHLORO-D-ALANINE HYDROCHLORIDE
EINECS 266-624-2
CAS No. 17136-54-8
Article Data9
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point 155-157°C
Formula C₄H₉Cl₂NO₂
Boiling Point 164.4 °C at 760 mmHg
Molecular Weight 174.027
Flash Point 53.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Alanine,3-chloro-, methyl ester, hydrochloride, L- (8CI);NSC 117383;
PSA 52.32000
LogP 1.22780

L-Alanine, 3-chloro-,methyl ester, hydrochloride (9CI) Specification

The L-Alanine, 3-chloro-,methyl ester, hydrochloride (9CI), with CAS registry number 17136-54-8, has the systematic name of methyl 3-chloro-L-alaninate hydrochloride. Besides this, it is also called beta-Chloro-d-alanine hydrochloride. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C₄H₉Cl₂NO₂.

Physical properties of L-Alanine, 3-chloro-,methyl ester, hydrochloride (9CI): (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 52.32 Å²; (6)Flash Point: 78.5 °C; (7)Enthalpy of Vaporization: 45.15 kJ/mol; (8)Boiling Point: 206.2 °C at 760 mmHg; (9)Vapour Pressure: 0.201 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The L-Alanine, 3-chloro-,methyl ester, hydrochloride (9CI) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.ClC[C@H](N)C(=O)OC
(2)InChI: InChI=1/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m0./s1
(3)InChIKey: POPBCSXDEXRDSX-DFWYDOINBZ
(4)Std. InChI: InChI=1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m0./s1
(5)Std. InChIKey: POPBCSXDEXRDSX-DFWYDOINSA-N

Product Name

BETA-CHLORO-D-ALANINE HYDROCHLORIDE

L-Alanine, 3-chloro-,methyl ester, hydrochloride (9CI) Specification

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