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BETA-CHLOROLACTIC ACID

BETA-CHLOROLACTIC ACID structure

CAS No:
1713-85-5
Formula:
C3H5ClO3
Chemical Name:
BETA-CHLOROLACTIC ACID
Synonyms:
3-chloro-2-hydroxy-propanoicaci;3-chlorolactate;BETA-CHLOROLACTIC ACID;2-Hydroxy-3-chloropropionic Acid;DL-3-Chl;beta-Chlorolactic acid >=92.5%;3-CHLORO-3-DEOXY-(D,L)-GLYCERIC ACID;B-chlorolactic acid

Description

White SolidChEBI: A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group.

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 derives from a rac-lactic acid.

β-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.

White Solid

BETA-CHLOROLACTIC ACID Basic Attributes

Molecular Weight：

124.52

Exact Mass：

124.52

EC Number：

216-993-0

TSCA：

TSCA listed

Color/Form：

White to Off-White

HScode：

2918199090

Characteristics

PSA：

57.5

XLogP3：

-0.2

Density：

1.519±0.06 g/cm3(Predicted)

Melting Point：

77 °C

Boiling Point：

259.5±20.0 °C(Predicted)

Flash Point：

110.8ºC

Refractive Index：

1.493

Storage Conditions：

2-8°C

Vapor Pressure：

0.00188mmHg at 25°C

PKA：

3.23±0.11(Predicted)

Critical Temperature & Pressure：

2-8°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1759

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

RIDADR：

1759

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-chloro lactate

BETA-CHLOROLACTIC ACID Use and Manufacturing

Uses

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

Manufacturing Info：

Propanoic acid, 3-chloro-2-hydroxy-: INACTIVE

Computed Properties

Molecular Weight:124.52
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:123.9927217
Monoisotopic Mass:123.9927217
Topological Polar Surface Area:57.5
Heavy Atom Count:7
Complexity:72.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of BETA-CHLOROLACTIC ACID

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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BETA-CHLOROLACTIC ACID

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