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Safety Information

306797

Sigma-Aldrich

(S)-(−)-2-Chloropropionic acid

99%

Synonym(s):

(S)-(−)-2-Chloropropanoic acid, L-α-Chloropropionic acid

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About This Item

Linear Formula:
CH3CH(Cl)CO2H
CAS Number:
29617-66-1
Molecular Weight:
108.52
Beilstein:
1720257
EC Number:
411-150-5
MDL number:
MFCD00064205
UNSPSC Code:
12352101
PubChem Substance ID:
24858499

Assay

99%

form

liquid

optical activity

[α]25/D −14°, neat

refractive index

n20/D 1.4347 (lit.)

bp

77 °C/10 mmHg (lit.)

density

1.249 g/mL at 25 °C (lit.)

SMILES string

C[C@H](Cl)C(O)=O

InChI

1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1

InChI key

GAWAYYRQGQZKCR-REOHCLBHSA-N

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Application

(S)-(-)-2-Chloropropionic acid may be used in the preparation of (S)-(-)-2-chloropropionyl chloride[1] and DOTMA ([αR*(αR*,α′R*,α”R*,α”′R*)]-(α,α′,α”,α”′)-tetramethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) ligand.[2]

Signal Word

Danger

Hazard Statements

H302 + H312,H314,H373

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1A - STOT RE 2

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

222.8 °F - closed cup

Flash Point(C)

106 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

306797-1G:4548174002841
306797-5G:
306797-250MG:
306797-VAR:
306797-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBP2576V
09508CW
14711MN
06626DY
04229JY

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Synthesis of optically pure. alpha.-alkylated. alpha.-amino acids and a single-step method for enantiomeric excess determination.
Kruizinga WH, et al.
The Journal of Organic Chemistry, 53(8) (1988)
A new ytterbium chelate as contrast agent in chemical shift imaging and temperature sensitive probe for MR spectroscopy.
Aime S, et al.
Magnetic Resonance in Medicine : Official Journal of the Society of Magnetic Resonance in Medicine / Society of Magnetic Resonance in Medicine, 35(5), 648-651 (1996)
E A Lock et al.
Toxicology, 123(1-2), 41-51 (1997-11-05)
Administration of a single oral dose of 750 mg/kg L-2-chloropropionic acid (L-CPA) to rats produces marked necrosis to the granule cell layer of the cerebellum by 48 h after dosing. Associated with the neuropathology the rats show locomotor impairment and
Gábor Bazsó et al.
The journal of physical chemistry. A, 116(20), 4823-4832 (2012-05-05)
Former assignments of the matrix-isolation infrared (MI-IR) spectrum of 2-chloropropionic acid are revised with the help of near-infrared (NIR) laser irradiation induced change in conformer ratios. This method allows not only the unambiguous assignment of each band in the MI-IR
Atsushi Kurata et al.
Journal of bioscience and bioengineering, 105(4), 429-431 (2008-05-24)
(S)-2-Chloropropionate is a synthetic intermediate for phenoxypropionic acid herbicides. We constructed a system for asymmetric reduction of 2-chloroacrylate to produce (S)-2-chloropropionate with recombinant Escherichia coli cells producing 2-haloacrylate reductase from Burkholderia sp. WS and an NADPH regeneration system. The system
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