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1713-85-5 molecular structure
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3-chloro-2-hydroxypropanoic acid

ChemBase ID: 130566
Molecular Formular: C3H5ClO3
Molecular Mass: 124.523
Monoisotopic Mass: 123.9927217
SMILES and InChIs

SMILES:
C(C(C(=O)O)O)Cl
Canonical SMILES:
OC(C(=O)O)CCl
InChI:
InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
InChIKey:
OSLCJYYQMKPZHU-UHFFFAOYSA-N

Cite this record

CBID:130566 http://www.chembase.cn/molecule-130566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-hydroxypropanoic acid
IUPAC Traditional name
3-chloro-2-hydroxypropanoic acid
Synonyms
β-Chlorolactic acid
3-Chloro-lactic Acid
(±)-3-Chloro-2-hydroxypropanoic Acid
(±)-3-Chlorolactic Acid
2-Hydroxy-3-chloropropionic Acid
3-Chloro-2-hydroxypropanoic Acid
3-Chloro-2-hydroxypropionic Acid
3-Chlorolactic Acid
Chlorolactic Acid
DL-3-Chlorolactic Acid
DL-β-Chlorolactic Acid
3-Chloro-2-hydroxy-propionic Acid
3-Chloro-2-hydroxy-propanoic Acid
β-Chlorolactic Acid
β-氯乳酸
CAS Number
1713-85-5
EC Number
216-993-0
MDL Number
MFCD00046523
PubChem SID
162224844
24893089
PubChem CID
92899

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 92899 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1141999  H Acceptors
H Donor LogD (pH = 5.5) -2.5216026 
LogD (pH = 7.4) -3.6235063  Log P -0.16414763 
Molar Refractivity 23.4345 cm3 Polarizability 9.506608 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ether expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥92.5% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C8651 external link
包装
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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