Grundinformationen
- Standard-SMILES
Sc1ccccc1Cl- InChIKey
PWOBDMNCYMQTCE-UHFFFAOYSA-N- Summenformel
- C6H5ClS
- Durchschnittliche Molmasse
- 144,62 g/mol
- Monoisotopische Masse
- 143,98004884
Namen und Bezeichner
- Bevorzugter Name
- o-Chlorothiophenol
- IUPAC
- 2-chlorobenzenethiol
- Englischer Name
- 2-CHLOROTHIOPHENOL
- Summenformel
- C6H5ClS
- Molmasse
- 144.62
Namen und Synonyme
2-Chlorothiophenol2-Chlorobenzenethiolo-Chlorothiophenolo-ChlorobenzenethiolBenzenethiol, 2-chloro-2-chlorobenzene-1-thiolDTXSID2057788YR1EP0V0MAUNII-YR1EP0V0MANSC-32019(2-CHLOROPHENYL)THIOLDTXCID3031577
Weitere Namen anzeigen
2-chlorothiphenol2-chloro-benzenethio2-Chloro ThiophenoleBenzenethiol,2-chloro-2-Chlorothiophenol 98%ORTHO-CHLOROTHIOPHENOL
EINECS 228-667-5NSC 32019RefChem:167166PWOBDMNCYMQTCE-UHFFFAOYSA-N6320-03-21-Chloro-2-mercaptobenzeneo-ChloromercaptobenzeneBenzenethiol, o-chloro-
Datenbank-Bezeichner
- CAS
6320-03-2- PubChem CID
- 80599
- DTXSID
DTXSID2057788- ChEMBL
CHEMBL3560357- UNII
- YR1EP0V0MA
- EC Number
- 228-667-5
- Nikkaji
- J206.913J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 74,9
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP2.27
Physikochemische Eigenschaften
- Siedepunkt
- 205 · 205-206 °C260 mm Hg(lit.)
- Dichte
- 1.275 g/mL · 1.275 g/mL at 25 °C(lit.)
- Dampfdruck
- 64.47 Pa · 64.47Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.6029(lit.)
- Flammpunkt
- 191 °F · 191 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Aggregatzustand
- Liquid
- pka
- 5.9 · 5.90±0.43(Predicted)
- Wichte
- 1.275 · 1.275
- Farbe
- Clear slightly yellow
- Wasserlöslichkeit
- 2.4 g/L · 2.4g/L at 20℃
- BRN
- 1209665 · 1209665
- InChI
- 1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChIKey
- PWOBDMNCYMQTCE-UHFFFAOYSA-N
- SMILES
- Sc1ccccc1Cl
- LogP
- 1.96 at · 1.96 at 20℃
- CAS Datenbank
- 6320 · 6320-03-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenethiol, 2-chloro-(6320-03-2)
- EPA chemische Informationen
- 2 · Benzenethiol, 2-chloro- (6320-03-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19401
Benzenethiol, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- F
- 9-13-23-19
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29309090
- risk_code
- 34-36/37-20/21/22
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory/Stench
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenethiol, 2-chloro-: ACTIVE
Anwendungen
Verwenden2-Chlorothiophenol has been used in the synthesis of bis (2-chlorophenyl) analog of aromatic disulfide.
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