3,5-Difluoro-4-hydroxy-benzonitrile

HCID 10749406

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Grundinformationen

CAS: 2967-54-6
Standard-SMILES: N#Cc1cc(F)c(O)c(F)c1
InChIKey: XZNZJDPPWWFJAL-UHFFFAOYSA-N
Summenformel: C7H3F2NO
Durchschnittliche Molmasse: 155,1 g/mol
Monoisotopische Masse: 155,01827004

Namen und Bezeichner

Bevorzugter Name: 3,5-Difluoro-4-hydroxy-benzonitrile
IUPAC: 3,5-difluoro-4-hydroxybenzonitrile
Englischer Name: 3,5-Difluoro-4-hydroxy-benzonitrile
Summenformel: C7H3F2NO
Molmasse: 155.1

Namen und Synonyme

3,5-difluoro-4-hydroxy-benzonitrileRefChem:486830642-835-93,5-Difluoro-4-hydroxybenzonitrile2967-54-6MFCD09033181Benzonitrile, 3,5-difluoro-4-hydroxy-2,6-difluoro-4-cyanophenol4-cyano-2,6-difluorophenolSCHEMBL198609DTXSID20444265XZNZJDPPWWFJAL-UHFFFAOYSA-N

Weitere Namen anzeigen

3,5-Difluoro-4-hydroxybenzonitrile,97%

35-Difluoro-4-hydroxybenzonitrileCL9061AKOS006330014CS-W006696DS-15589SY101617DB-016728EN300-1615114

Datenbank-Bezeichner

CAS: 2967-54-6
PubChem CID: 10749406
DTXSID: DTXSID20444265
EC Number: 642-835-9
Nikkaji: J1.298.339E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 44 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 200 · 200-208℃
Siedepunkt: 221 · 221.0±40.0 °C(Predicted)
Dichte: 1.44 · 1.44±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 5.34 · 5.34±0.23(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (28.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (28.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.