Phenyl Chlorodithioformate

HCID 592675CAS 16911-89-0

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Grundinformationen

Standard-SMILES: S=C(Cl)Sc1ccccc1
InChIKey: XEXIHCWFFNGQDE-UHFFFAOYSA-N
Summenformel: C7H5ClS2
Durchschnittliche Molmasse: 188,7 g/mol
Monoisotopische Masse: 187,95211984

Namen und Bezeichner

Bevorzugter Name: Phenyl Chlorodithioformate
IUPAC: phenyl chloromethanedithioate
Englischer Name: Phenyl chlorodithioformate
Summenformel: C7H5ClS2
Molmasse: 188.7

Namen und Synonyme

Phenyl chlorodithioformate16911-89-0Carbonochloridodithioic acid, phenyl esterFormic acid, chlorodithio-, phenyl esterDTXSID20343845RefChem:172951DTXCID00294922627-860-5XEXIHCWFFNGQDE-UHFFFAOYSA-Nphenyl chloromethanedithioatePhenyl carbonochloridodithioateMFCD00013429

Weitere Namen anzeigen

PHENYL DITHIOCHLOROFORMATEPhenylChlorodithioformate>Phenyl carbonochloridodithioate(Phenylthio)thioformyl chloride

Chlorodithioformic Acid Phenyl EsterC7H5ClS2phenyl(chloro)dithioformatephenylthiomethanethioyl chlorideSCHEMBL1824547Phenyl chloridodithiocarbonate #Phenyl chlorodithioformate, 95%Phenyl chlorodithioformate, 97%

Datenbank-Bezeichner

CAS: 16911-89-0
PubChem CID: 592675
DTXSID: DTXSID20343845
EC Number: 627-860-5
Nikkaji: J117.425H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 57,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Siedepunkt: 135 °C/15 · 135 °C/15 mmHg (lit.)
Dichte: 1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.6688(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Light yellow to Amber to Dark green
InChI: 1S/C7H5ClS2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChIKey: XEXIHCWFFNGQDE-UHFFFAOYSA-N
SMILES: ClC(=S)Sc1ccccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1760 8/PG 3
hs_code: 2930.90.2900
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenPhenyl chlorodithioformate was used in synthesis of phenyl arylsulfonyl-alkyl-dithiocarbamates. It was also used in synthesis of S-phenyl O-(4-nitrophenyl)dithiocarbonate.