Grundinformationen
- Standard-SMILES
Clc1ccc(Cl)s1- InChIKey
FGYBDASKYMSNCX-UHFFFAOYSA-N- Summenformel
- C4H2Cl2S
- Durchschnittliche Molmasse
- 153,03 g/mol
- Monoisotopische Masse
- 151,9254266
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dichlorothiophene
- IUPAC
- 2,5-dichlorothiophene
- Lokaler Name
- 2,5-Dichlorthiophen
- Englischer Name
- 2,5-Dichlorothiophene
- Summenformel
- C4H2Cl2S
- Molmasse
- 153.03
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3172-52-9- PubChem CID
- 18501
- DTXSID
DTXSID6062888- UNII
- 7Z74FM5ZZL
- EC Number
- 221-638-8
- Nikkaji
- J80.658G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 58
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -41 · -41--40°C
- Siedepunkt
- 162 °C · 162 °C (lit.)
- Dichte
- 1.442 g/mL · 1.442 g/mL at 25 °C (lit.)
- Brechungsindex
- 1.561 · 1.561-1.563
- Flammpunkt
- 59 °C · 59 °C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- liquid
- Wichte
- 1.442 · 1.442
- Farbe
- Colorless to Light yellow to Light orange
- BRN
- 109887 · 109887
- InChI
- InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
- InChIKey
- FGYBDASKYMSNCX-UHFFFAOYSA-N
- SMILES
- C1(Cl)SC(Cl)=CC=1
- CAS Datenbank
- 3172 · 3172-52-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Thiophene, 2,5-dichloro-(3172-52-9)
- EPA chemische Informationen
- 2 · Thiophene, 2,5-dichloro- (3172-52-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H300 (13.3%): Fatal if swallowed [Danger Acute toxicity, oral];H341 (11.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P318, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 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.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2929
- hs_code
- 29349990
- risk_code
- 40-26/27/28-36/37/38-20/21/22
- hazard_code
- T+,Xn
- safety_code
- 45-36/37-28A-36-26
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,5-Dichlorothiophene is mainly used as a pharmaceutical intermediate. It is used in the synthesis of 3,4-disubstituted thiophenes.
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