Chlorolactic acid

HCID 92899
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Basic information

CAS
1713-85-5
Standard SMILES
O=C(O)C(O)CCl
InChIKey
OSLCJYYQMKPZHU-UHFFFAOYSA-N
Molecular formula
C3H5ClO3
Average molar mass
124.52 g/mol
Monoisotopic mass
123.9927217

Overview

3-chlorolactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group. It is an organochlorine compound and a 2-hydroxy monocarboxylic acid. It is functionally related to a rac-lactic acid.

Names & identifiers

Preferred name
Chlorolactic acid
IUPAC
3-chloro-2-hydroxypropanoic acid
English name
beta-Chlorolactic acid
Molecular formula
C3H5ClO3
Molecular weight
124.52

Names & synonyms

1713-85-5Propanoic acid, 3-chloro-2-hydroxy-3-ChlorolactateM4Y6UA6H9UDTXSID108837453-chloro lactateRefChem:500494DTXCID50223767Chlorolactic acid3-Chloro-2-hydroxypropanoic acidbeta-Chlorolactic acid3-Chlorolactic acid
Show more names
DL-3-ChlBETA-CHLOROACETATEBETA-CHLOROLACTATEβ-chlorolactic acidChloroLacticAcid,B-B-chlorolactic acidβ-Chlorolactic AcidSODIUM3-CHLOROLACTATE(S)-BETA-CHLOROLACTATE
3-Chloro-2-hydroxypropionic acid(+/-)-3-chlorolactic acidMFCD000465233-CHLORO-2-HYDROXY PROPANOIC ACID74792-92-0DL-3-Chlorolactic AcidUNII-M4Y6UA6H9U3-Chloro-2-hydroxypropanoicacid

Database identifiers

CAS
1713-85-5
PubChem CID
92899
DTXSID
DTXSID10883745
ChEBI
CHEBI:77855
UNII
M4Y6UA6H9U
EC Number
216-993-0
Nikkaji
J203.107H

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Melting point
77 °C · 77 °C
Boiling point
259.5 · 259.5±20.0 °C(Predicted)
Density
1.519 · 1.519±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Very Slightly), DMSO (Slightly), Methanol (Sparingly)
pka
3.23 · 3.23±0.11(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
1759
risk_code
34
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 3-chloro-2-hydroxy-: INACTIVE
Applications · 2 items

Descriptionβ-Chlorolactic acid, also known as 3-Chloro-2-hydroxypropanoic acid, is a major intermediate of 3-monochloro-1,2-propanediol (MCPD) in mammals, and a by-product of acid hydrolysis in the production of soy sauce. Studies have shown that β-chlorolactic acid may have immunotoxic effects on the immune response of lymphocytes and peritoneal macrophages in vitro.

Uses3-Chloro-2-hydroxypropanoic acid-13C3 (2-Hydroxy-3-chloropropionic Acid-13C3) is 13C labeled 3-Chloro-2-hydroxypropanoic acid[1].

Upstream & downstream products

Suppliers63 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 3-chlorolactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group. It is a 2-hydroxy monocarboxylic acid and an organochlorine compound. It is functionally related to a rac-lactic acid.

Related reactions

12 records
New reaction record

Compound notes

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