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(s) (-) -2-Chloropropionic acid

CAT: 0286-C18573-02Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-C18573-02Size:5 g
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CAS Number
29617-66-1
UN Code
UN2511
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00064205
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled.
DOT Name
2-Chloropropionic acid
DOT Classification
Class 8
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

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

(S)-2-chloropropanoic acid is a monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer). It has a role as a neurotoxin. It is a monocarboxylic acid and a chlorocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a (S)-2-chloropropanoate.

CAS Number29617-66-1
PubChem CID107915
IUPAC Name(2S)-2-chloropropanoic acid
Molecular FormulaC3H5ClO2
Molecular Weight108.52
XLogP0.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity61
SMILES
C[C@@H](C(=O)O)Cl
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
GAWAYYRQGQZKCR-REOHCLBHSA-N
Chemical Structure
2D Structure
2D structure of (S)-(-)-2-Chloropropionic acid
CAS: 29617-66-1
CID: 107915
Formula: C3H5ClO2
MW: 108.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.52
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass107.9978071
Monoisotopic Mass107.9978071
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity61.8
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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