2,5-Difluorobenzene-1-thiol

HCID 3836323CAS 77380-28-0

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Grundinformationen

Standard-SMILES: Fc1ccc(F)c(S)c1
InChIKey: PQRVQUXEBQKVEQ-UHFFFAOYSA-N
Summenformel: C6H4F2S
Durchschnittliche Molmasse: 146,16 g/mol
Monoisotopische Masse: 146,00017763

Namen und Bezeichner

Bevorzugter Name: 2,5-Difluorobenzene-1-thiol
IUPAC: 2,5-difluorobenzenethiol
Englischer Name: 2,5-DIFLUORO THIOPHENOL
Summenformel: C6H4F2S
Molmasse: 146.16

Namen und Synonyme

2,5-difluorobenzene-1-thiolRefChem:444396860-175-12,5-difluorobenzenethiol77380-28-02,5-DIFLUOROTHIOPHENOL2,5-Difluoro thiophenolBenzenethiol,2,5-difluoro-MFCD04973437SCHEMBL425322AKOS009031205EN300-13809

Weitere Namen anzeigen

2,5-Difluoro thiophe2,5-difluorobenzenethiolateBENZENETHIOL, 2,5-DIFLUORO-Benzenethiol, 2,5-difluoro- (9CI)

C13372PQRVQUXEBQKVEQSCHEMBL752961SCHEMBL11069481SCHEMBL30696168DTXSID60397105PQRVQUXEBQKVEQ-UHFFFAOYSA-N2,5-difluoro thiophenol, AldrichCPR

Datenbank-Bezeichner

CAS: 77380-28-0
PubChem CID: 3836323
DTXSID: DTXSID60397105
EC Number: 860-175-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)