Grundinformationen
- CAS
15894-04-9- Standard-SMILES
Fc1ccc(CS)cc1- InChIKey
RKTRHMNWVZRZJQ-UHFFFAOYSA-N- Summenformel
- C7H7FS
- Durchschnittliche Molmasse
- 142,2 g/mol
- Monoisotopische Masse
- 142,02524956
Namen und Bezeichner
- Bevorzugter Name
- p-Fluorotoluene-alpha-thiol
- IUPAC
- (4-fluorophenyl)methanethiol
- Lokaler Name
- p-Fluortoluol-α-thiol
- Englischer Name
- 4-Fluorobenzyl mercaptan
- Summenformel
- C7H7FS
- Molmasse
- 142.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
15894-04-9- PubChem CID
- 85171
- DTXSID
DTXSID50166544- ChEMBL
CHEMBL1224558- EC Number
- 240-031-9
- Nikkaji
- J219.889D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 77
Physikochemische Eigenschaften
- Siedepunkt
- 72 · 72-74 °C/15 mmHg (lit.)
- Dichte
- 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.545(lit.)
- Flammpunkt
- 170 °F · 170 °F
- Aggregatzustand
- Liquid
- pka
- 9.53 · 9.53±0.10(Predicted)
- Wichte
- 1.157 · 1.157
- Farbe
- Colorless to pale yellow
- BRN
- 2242520 · 2242520
- InChI
- 1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
- InChIKey
- RKTRHMNWVZRZJQ-UHFFFAOYSA-N
- SMILES
- Fc1ccc(CS)cc1
- CAS Datenbank
- 15894 · 15894-04-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 3 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;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
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1228
- hs_code
- 2930909899
- risk_code
- 20/21/22
- hazard_code
- T
- hazard_note
- Toxic/Stench
- safety_code
- 23-27-36/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Verwenden4-Fluorobenzyl mercaptan may be used in the synthesis of the degradation products of fluorapacin, namely bis(4-fluorobenzyl)disulfide and bis(4-fluorobenzyl)tetrasulfide.
Anbieter79 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…