3-Chlorothiophene

HCID 87017CAS 17249-80-8

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Grundinformationen

Standard-SMILES: Clc1ccsc1
InChIKey: QUBJDMPBDURTJT-UHFFFAOYSA-N
Summenformel: C4H3ClS
Durchschnittliche Molmasse: 118,59 g/mol
Monoisotopische Masse: 117,96439878

Namen und Bezeichner

Bevorzugter Name: 3-Chlorothiophene
IUPAC: 3-chlorothiophene
Englischer Name: 3-Chlorothiophene
Summenformel: C4H3ClS
Molmasse: 118.58

Namen und Synonyme

3-ChlorothiopheneRefChem:500545605-636-817249-80-8Thiophene, 3-chloro-3-Thienyl ChlorideMFCD000438873-chloro-thiophene3-Chlorothiophene, 98%SCHEMBL4123SCHEMBL4205SCHEMBL153082

Weitere Namen anzeigen

3-Chlorothiophene >3-Chlorothiophene 98%3-Chlorothiophene,98%3-Chlorothiophene, 98% 5GR3-CHLOROTHIOPHENE ISO 9001：2015 REACH3-Chlorothiophene,98%,maycontainupto2%DMF3-Chlorothiophene, 98%, May contain up to 2% DiMethyl forMaMide

SCHEMBL268092SCHEMBL349986orb3030124DTXSID20169325Fr14320STR01650AKOS006220722AC-4914

Datenbank-Bezeichner

CAS: 17249-80-8
PubChem CID: 87017
DTXSID: DTXSID20169325
EC Number: 605-636-8
Nikkaji: J149.960B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 46,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling

Physikochemische Eigenschaften

Schmelzpunkt: -62 °C · -62 °C
Siedepunkt: 137 · 137-139 °C(lit.)
Dichte: 1.276 g/mL · 1.276 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.553(lit.)
Flammpunkt: 99 °F · 99 °F
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
Aggregatzustand: Liquid
Wichte: 1.276 · 1.276
Farbe: Clear colorless to light yellow
BRN: 105255 · 105255
InChI: InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
InChIKey: QUBJDMPBDURTJT-UHFFFAOYSA-N
SMILES: C1SC=CC=1Cl
CAS Datenbank: 17249 · 17249-80-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: -
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 61-10-36-36/37/38-41-37/38-22
hazard_code: T,F,Xi
hazard_note: Irritant
safety_code: 53-16-26-45-36-7/9-37/39-39
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Repr. 1BSkin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Chlorothiophene was used in the synthesis of poly(3-chlorothiophene) films by direct oxidation in mixed electrolytes of boron trifluoride diethyl etherate and trifluroacetic acid.