Grundinformationen
- Standard-SMILES
OCC(Cl)Cl- InChIKey
IDJOCJAIQSKSOP-UHFFFAOYSA-N- Summenformel
- C2H4Cl2O
- Durchschnittliche Molmasse
- 114,96 g/mol
- Monoisotopische Masse
- 113,96392011
Überblick
2,2-dichloroethanol is a clear pale yellow liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,2-Dichloroethanol
- IUPAC
- 2,2-dichloroethanol
- Lokaler Name
- 2,2-Dichlorethanol
- Englischer Name
- 2,2-DICHLOROETHANOL
- Summenformel
- C2H4Cl2O
- Molmasse
- 114.96
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
598-38-9- PubChem CID
- 11718
- DTXSID
DTXSID4024989- ChEMBL
CHEMBL113957- UNII
- RU6JX11G7W
- EC Number
- 209-931-9
- Nikkaji
- J1.650K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 21,6
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 146 °C · 146 °C (lit.)
- Dichte
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.473(lit.)
- Flammpunkt
- 173 °F · 173 °F
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform
- pka
- 13.09 · 13.09±0.10(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- Henry's Law Constant
- 3.7 · 3.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- Stabilität
- Stable. Combustible. Incompatible with oxidizing agents.
- InChI
- InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
- InChIKey
- IDJOCJAIQSKSOP-UHFFFAOYSA-N
- SMILES
- C(O)C(Cl)Cl
- CAS Datenbank
- 598 · 598-38-9
- EPA chemische Informationen
- 2 · 2,2-Dichloroethanol (598-38-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- RTECS-Nr.
- KK4100000
- risk_code
- 20/21/22-40
- hazard_code
- Xn
- safety_code
- 7-23-36/37/39-45
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
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