4-Fluor-2-nitrotoluol

4-Fluoro-2-nitrotoluene

HCID 67965CAS 446-10-6

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Grundinformationen

Standard-SMILES: Cc1ccc(F)cc1[N+](=O)[O-]
InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N
Summenformel: C7H6FNO2
Durchschnittliche Molmasse: 155,13 g/mol
Monoisotopische Masse: 155,0382566

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-2-nitrotoluene
IUPAC: 4-fluoro-1-methyl-2-nitrobenzene
Lokaler Name: 4-Fluor-2-nitrotoluol
Englischer Name: 4-Fluoro-2-nitrotoluene
Summenformel: C7H6FNO2
Molmasse: 155.13

Namen und Synonyme

4-Fluoro-2-nitrotoluene446-10-64-Fluoro-1-methyl-2-nitrobenzeneEINECS 207-161-8SKWTUNAAJNDEIK-UHFFFAOYSA-DTXSID80196233NSC 60725RefChem:523134DTXCID90118724207-161-8InChI=1/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H32-nitro-4-fluorotoluene

Weitere Namen anzeigen

Fluoronitrotoluene4Afatinib Impurity 972-nitro-4-fluorotoluol2-Nitri-4-fluorotoluene4-fluoro-2-nitrobenzene4-Fluoro-2-nitrotoluene98%

Benzene, 4-fluoro-1-methyl-2-nitro-MFCD00007200Toluene, 4-fluoro-2-nitro-4-fluoro-1-methyl-2-nitro-benzeneNSC-607254-fluoro-2-nitro tolueneNSC607254-fluoronitrotoluene

Datenbank-Bezeichner

CAS: 446-10-6
PubChem CID: 67965
DTXSID: DTXSID80196233
UNII: VC9M78LMH5
EC Number: 207-161-8
Nikkaji: J149.802I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: 27 °C · 27 °C(lit.)
Siedepunkt: 138 · 138-139 °C83 mm Hg(lit.)
Dichte: 1.26 · 1.26
Brechungsindex: 20 · n20/D 1.522(lit.)
Flammpunkt: 210 °F · 210 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.26 · 1.260
Farbe: Clear yellow to amber
BRN: 1946051 · 1946051
InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1[N+]([O-])=O
CAS Datenbank: 446 · 446-10-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzene, 4-fluoro-1-methyl-2-nitro-(446-10-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): 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 49 reports by companies from 9 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (98%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (95.9%)；Eye Irrit. 2 (95.9%)；Acute Tox. 4 (14.3%)；STOT SE 3 (93.9%)