Grundinformationen
- Standard-SMILES
Sc1ccc(Cl)cc1- InChIKey
VZXOZSQDJJNBRC-UHFFFAOYSA-N- Summenformel
- C6H5ClS
- Durchschnittliche Molmasse
- 144,62 g/mol
- Monoisotopische Masse
- 143,98004884
Namen und Bezeichner
- Bevorzugter Name
- p-Chlorothiophenol
- IUPAC
- 4-chlorobenzenethiol
- Lokaler Name
- 4-Chlorthiophenol
- Englischer Name
- 4-Chlorothiophenol
- Summenformel
- C6H5ClS
- Molmasse
- 144.62
Namen und Synonyme
4-Chlorothiophenol106-54-74-CHLOROBENZENETHIOLp-Chlorothiophenolp-ChlorobenzenethiolBenzenethiol, 4-chloro-p-ChlorthiofenolBenzenethiol, p-chloro-p-Chlorophenylmercaptanp-Mercaptochlorobenzene4-Chlorophenylmercaptan1-Chloro-4-mercaptobenzene
Weitere Namen anzeigen
4-ChloroPARA-CHLOROTHIOPHENOLNSC 229564orothiophenoL4-CHLOROTHIOPENOL4-chlorthiophenolAKOS BBS-00004252CHLOROTHIOPHENOL-4
Phenyl mercaptan, p-chloro-p-Chlorthiofenol [Czech]NSC 18714EINECS 203-408-94-chlorophenylthiolBRN 0605971AI3-180241O71UA6O72
Datenbank-Bezeichner
- CAS
106-54-7- PubChem CID
- 7815
- DTXSID
DTXSID3059341- ChEMBL
CHEMBL332901- UNII
- 1O71UA6O72
- EC Number
- 203-408-9
- Nikkaji
- J54.509K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 66,9
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP2.66
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-51 °C(lit.)
- Siedepunkt
- 205 · 205-207 °C(lit.)
- Dichte
- 1.1911 · 1.1911
- Brechungsindex
- 1.548 · 1.5480
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- methanol: soluble
- pka
- 1 · pK1:5.9 (25°C)
- Aggregatzustand
- Crystalline Solid
- Farbe
- White to almost white
- Wasserlöslichkeit
- insoluble
- BRN
- 605971 · 605971
- InChI
- 1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
- InChIKey
- VZXOZSQDJJNBRC-UHFFFAOYSA-N
- SMILES
- Sc1ccc(Cl)cc1
- CAS Datenbank
- 106 · 106-54-7(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenethiol, 4-chloro-(106-54-7)
- EPA chemische Informationen
- 4 · Benzenethiol, 4-chloro- (106-54-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (89.6%): 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 67 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 02-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21154
Hazard Classes and CategoriesAcute Tox. 4 (89.6%)
Sicherheitsdaten
- F
- 9-13-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29309090
- RTECS-Nr.
- DC1050000
- risk_code
- 22-34-36/37-20/21/22
- 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
- Acute Tox. 4 OralSkin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenethiol, 4-chloro-: ACTIVE
Anwendungen
Verwenden4-Chlorothiophenol was used to modify poly(vinyl chloride) and to synthesize poly(vinyl chloride) with halogen groups.
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