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29617-66-1

Basic Information
CAS No.: 29617-66-1
Name: (S)-(-)-2-Chloropropionic acid
Article Data: 49
Molecular Structure:
Molecular Structure of 29617-66-1 ((S)-(-)-2-Chloropropionic acid)
Formula: C3H5ClO2
Molecular Weight: 108.525
Synonyms: (2S)-2-chloropropanoic acid;(S)-2-Chloropropionic acid;Propionic acid, 2-chloro-, L- (8CI);Propanoic acid, 2-chloro-, (S)-;alpha-L-Chloropropionic acid;S-2-Chloropropionic acid;(S)-2-Chloropropanoic acid;L-2-Chloropropanoic acid;(2S)-Chloropropanoic acid;L-2-chloropropinonical;
EINECS: 411-150-5
Density: 1.285 g/cm3
Melting Point: 4 °C
Boiling Point: 189 °C at 760 mmHg
Flash Point: 68.1 °C
Solubility: soluble in water
Appearance: colourless oil
Hazard Symbols: CorrosiveC
Risk Codes: 21/22-35
Safety: 23-26-28-36/37/39-45
Transport Information: UN 2511 8/PG 3
PSA: 37.30000
LogP: 0.69830
Synthetic route
56-41-7

L-alanin

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With hydrogenchloride; nitrosylchloride In water at 0℃; for 1h; Temperature;94%
With hydrogenchloride; sodium nitrite In water at -5 - 20℃;89%
Stage #1: L-alanin With hydrogenchloride; tartaric acid; iron(II) chloride In water for 1h;
Stage #2: With sodium nitrite In water at 0℃; for 4h; Reagent/catalyst;
85.4%

(1R,2R)-2-(naphthalen-2-yloxy)cyclohexyl (S)-2-chloropropanoate

A

29617-66-1

(S)-2-chloropropanoic acid

B

trans-2-(naphthalen-2-yloxy)cyclohexan-1-ol

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; water at 50℃; for 24h; Inert atmosphere;A 91%
B 93%

C20H19ClO2

A

29617-66-1

(S)-2-chloropropanoic acid

B

9,10-dihydro-9,10-ethanoanthracene-11-methanol

C

7474-05-7

(R)-2-chloropropionic acid

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane at 50℃; for 8h; Inert atmosphere; Resolution of racemate;A n/a
B 91%
C n/a

(S)-2-Chloro-propionic acid (R)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl ester

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 0℃; for 0.25h;86%
74497-15-7

(+)-ethyl 2-chloropropionate

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With sodium hydroxide In water85%
56-41-7

L-alanine

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite at 0℃; for 20h;71%
83261-15-8

(S)-2-Chlorpropionsaeure-isobutylester

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With potassium hydroxide In water at 0℃;59%
127304-29-4

(2R,3S)-(+)-3-chlorobutane-2-ol

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
With potassium hydroxide; bromine at 50℃;
73246-45-4

methyl-(S)-2-chloropropionate

A

67-56-1

methanol

B

29617-66-1

(S)-2-chloropropanoic acid

Conditions
ConditionsYield
subtilisin In water at 30℃; Kinetics;
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Pseudomonas fluorescens In water at 25℃; pH=7.20; Enzyme kinetics;
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Ophiostoma piliferum In water at 25℃; pH=7.20; Enzyme kinetics;
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus In water at 40℃; pH=7.20; Enzyme kinetics;
129974-79-4, 129974-81-8, 129974-82-9

(RS)-1-Pentylpropynyl (L)-2-chloropropanoate

A

29617-66-1

(S)-2-chloropropanoic acid

B

32556-71-1

1-octyn-3-ol

C

129974-82-9

(R)-1-Pentylpropynyl (L)-2-chloropropanoate

Conditions
ConditionsYield
With water; lipase CC lipase P;
With water; lipase CC Product distribution; or lipase P;
With lipase CC; water or lipase P;
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  • S-(-)-2-Chloropropionic AcidCAS RN 29617-66-1

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    Product name: S-(-)-2-Chloropropionic Acid CAS No.: 29617-66-1 Molecule Formula:C5H2ClF2N Molecule Weight:149.53 Purity: 98.0% Package: 200kg/drum Description:Colorless or straw yellow liquid Manufacture Standards:Enterprise Standard

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    (S)-(-)-2-Chloropropionic acid

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Chemistry

The Molecular Structure of (S)-(-)-2-Chloropropionic acid (CAS NO.29617-66-1):

Empirical Formula: C3H5ClO2
Molecular Weight: 108.5236 
CAS registry number: 29617-66-1
Appearance: Colourless Oil
IUPAC Name: (2S)-2-chloropropanoic acid  
Nominal Mass: 108 Da
Average Mass: 108.5236 Da
Monoisotopic Mass: 107.997807 Da
Index of Refraction: 1.441
Molar Refractivity: 22.31 cm3
Molar Volume: 84.4 cm3
Surface Tension: 37.6 dyne/cm
Density: 1.285 g/cm3
Flash Point: 68.1 °C
Enthalpy of Vaporization: 46.87 kJ/mol
Boiling Point: 189 °C at 760 mmHg
Vapour Pressure: 0.26 mmHg at 25°C 
InChI
InChI=1/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
Smiles
C([C@@H](Cl)C)(O)=O
Synonyms: (2S)-Chloropropanoic acid ; (S)-2-Chloropropanoic acid ; (S)-2-Chloropropionic acid ; 2(S)-Chloropropionic acid ; L-2-Chloropropanoic acid ; L-2-Chloropropionic acid ; alpha-L-Chloropropionic acid ; Propanoic acid, 2-chloro-, (S)- ; Propionic acid, 2-chloro-, L- (8CI)  
Product Categories: Chiral Compounds;chiral;Miscellaneous Reagents;Building Blocks for Liquid Crystals;Carboxylic Acids (Chiral);Chiral Building Blocks;Chiral Compounds (Building Blocks for Liquid Crystals);Functional Materials;Synthetic Organic Chemistry

Uses

 (S)-(-)-2-Chloropropionic acid (CAS NO.29617-66-1) is used in the synthesis of muramic acid derivatives;  Preparation of its ester and reaction with protected amino acid  CESIUM salts to depsipeptides.

Toxicity Data With Reference

1、RTECS#: CAS# 29617-66-1: UA2451950 
2、LD50/LC50: RTECS: Not available. 
3、Carcinogenicity: (S)-(-)-2-Chloropropionic Acid - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
4、Other: See actual entry in RTECS for complete information.  

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 21/22-35 
R21/22: Harmful in contact with skin and if swallowed
R35: Causes severe burns
Safety Statements: 23-26-28-36/37/39-45 
S23: Do not breathe vapour
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S28: After contact with skin, wash immediately with plenty of soap-suds
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2511 8/PG 3
WGK Germany: 1
RTECS: UA2451950
HazardClass: 8
PackingGroup: III
HS Code: 29159080

Specification

(1)Fire Fighting Measures of (S)-(-)-2-Chloropropionic acid (CAS NO.29617-66-1):
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. 
Extinguishing Media: Use foam, dry chemical, or CARBON dioxide      
(2)Handling and Storage of (S)-(-)-2-Chloropropionic Acid
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. 
Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area.