2,3,3-Trichloroacrylic acid

HCID 16742

Notes Reactions

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Basic information

CAS: 2257-35-4
Standard SMILES: O=C(O)C(Cl)=C(Cl)Cl
InChIKey: WMUBNWIGNSIRDH-UHFFFAOYSA-N
Molecular formula: C3HCl3O2
Average molar mass: 175.39 g/mol
Monoisotopic mass: 173.904212

Names & identifiers

Preferred name: 2,3,3-Trichloroacrylic acid
IUPAC: 2,3,3-trichloroprop-2-enoic acid
English name: Trichloroacrylic acid
Molecular formula: C3HCl3O2
Molecular weight: 175.4

Names & synonyms

2,3,3-Trichloroacrylic acid2257-35-4Perchlorovinylic acid2,3,3-TRICHLORO-2-PROPENOIC ACIDEINECS 218-856-0DTXSID90177093RefChem:441582DTXCID4099584218-856-0Trichloroacrylic acid2,3,3-trichloroprop-2-enoic acid2-Propenoic acid, 2,3,3-trichloro-

Show more names

TRICHLORACRYLICACIDTRICHLOROPROPENOIC ACID2-Propenoicacid,2,3,3-trichloro-

MFCD00015455trichloroprop-2-enoic acid5394-04-7C3HCl3O2TRICHLOROACRYLICACIDtrichlor-acrylsaureSCHEMBL34036682D8NWU8M

Database identifiers

CAS: 2257-35-4
PubChem CID: 16742
DTXSID: DTXSID90177093
UNII: 682D8NWU8M
EC Number: 218-856-0
Nikkaji: J102.506F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 135

Physicochemical properties

Melting point: 72 · 72-74°C
Boiling point: 249.25 °C · 249.25°C (rough estimate)
Density: 1.8624 · 1.8624 (rough estimate)
refractive index: 1.5271 · 1.5271 (estimate)
pka: 1 · pK1:1.15 (25°C)
form: crystalline solid
color: White
BRN: 1754536 · 1754536
FDA UNII: 682 D8NWU8M · 682D8NWU8M
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P271-P280
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2916199590 · 2916199590

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.