2-Chloro-3-hydroxypropionic acid

HCID 564951

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Basic information

CAS: 138250-73-4
Standard SMILES: O=C(O)C(Cl)CO
InChIKey: GAHMZBZGINHHJR-UHFFFAOYSA-N
Molecular formula: C3H5ClO3
Average molar mass: 124.52 g/mol

Names & identifiers

Preferred name: 2-Chloro-3-hydroxypropionic acid
IUPAC: 2-chloro-3-hydroxypropanoic acid
English name: 2-Chloro-3-hydroxypropionic acid
Molecular formula: C3H5ClO3
Molecular weight: 124.52

Names & synonyms

2-Chloro-3-hydroxypropanoic acid2-Chloro-3-hydroxypropionic acid138250-73-4starbld00435032-chlorohydracrylic acidSCHEMBL12681322-Chloro-3-hydroxypropanoic acid #GEO-02550AKOS0063785922-Chloro-3-hydroxypropionic acid, 95%Propanoic acid, 2-chloro-3-hydroxy-2-Chloro-3-hydroxypropionic acid 95%

Database identifiers

CAS: 138250-73-4
PubChem CID: 564951
EC Number: 802-695-3
Nikkaji: J1.250.159E

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 72.6

Physicochemical properties

Melting point: 52 · 52-56°C
Boiling point: 296.4 · 296.4±25.0 °C(Predicted)
Density: 1.519 · 1.519±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.37 · 2.37±0.10(Predicted)
form: solid
InChI: 1S/C3H5ClO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)
InChIKey: GAHMZBZGINHHJR-UHFFFAOYSA-N
SMILES: OCC(C(O)=O)Cl
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H314
Precautionary statements: 260 · P260-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2923 · UN 2923 6.1(8) / PGII
WGK Germany: 3 · 3
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 OralSkin · Acute Tox. 3 OralSkin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
ridadr: UN 2923 6.1(8) / PGII
risk_code: 25-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-36/37/39-45
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard statements: H301-H314
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
Precautionary statements: P260-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338