2,3,3-Trichloracrylsure

2,3,3-Trichloroacrylic acid

HCID 16742

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Grundinformationen

CAS: 2257-35-4
Standard-SMILES: O=C(O)C(Cl)=C(Cl)Cl
InChIKey: WMUBNWIGNSIRDH-UHFFFAOYSA-N
Summenformel: C3HCl3O2
Durchschnittliche Molmasse: 175,39 g/mol
Monoisotopische Masse: 173,904212

Namen und Bezeichner

Bevorzugter Name: 2,3,3-Trichloroacrylic acid
IUPAC: 2,3,3-trichloroprop-2-enoic acid
Lokaler Name: 2,3,3-Trichloracrylsure
Englischer Name: Trichloroacrylic acid
Summenformel: C3HCl3O2
Molmasse: 175.4

Namen und Synonyme

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-

Weitere Namen anzeigen

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

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 135

Physikochemische Eigenschaften

Schmelzpunkt: 72 · 72-74°C
Siedepunkt: 249.25 °C · 249.25°C (rough estimate)
Dichte: 1.8624 · 1.8624 (rough estimate)
Brechungsindex: 1.5271 · 1.5271 (estimate)
pka: 1 · pK1:1.15 (25°C)
Aggregatzustand: crystalline solid
Farbe: White
BRN: 1754536 · 1754536

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.