p-Fluortoluol-α-thiol

p-Fluorotoluene-alpha-thiol

HCID 85171

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

15894-04-94-Fluorobenzenemethanethiolp-Fluorotoluene-alpha-thiolEINECS 240-031-9DTXSID50166544RefChem:858077DTXCID3089035240-031-94-Fluorobenzyl mercaptan(4-Fluorophenyl)methanethiol4-fluorobenzylmercaptanBenzenemethanethiol, 4-fluoro-
Weitere Namen anzeigen
4-FLUOROBENZYL MERCA4-Fluorobenzylthiol98%4-fluoro-à-toluenethiol4-Fluorobenzylthiol 98%P-FLUOROBENZYL MERCAPTAN4-FluorobenzylMercaptan>
4-fluorobenzylthiolMFCD00040724(4-fluoro-phenyl)-methanethiolCHEMBL12245584-Fluoro benzyl mercaptan4-fluorophenylmethanethiol4-fluorobenzylmercaptanep-fluorobenzenemethanethiol

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

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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Hazard Classes and CategoriesAcute Tox. 4 (85.7%);Acute Tox. 4 (71.4%);Skin Irrit. 2 (85.7%);Eye Irrit. 2 (85.7%);Acute Tox. 4 (85.7%);STOT SE 3 (71.4%)

Sicherheitsdaten

wgk
3
ridadr
1228
hs_code
2930909899
risk_code
20/21/22
hazard_code
T
hazard_note
Toxic/Stench

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

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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