2-Fluor-5-nitrotoluol

Benzene, 1-fluoro-2-methyl-4-nitro-

HCID 68001CAS 455-88-9

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Grundinformationen

Standard-SMILES: Cc1cc([N+](=O)[O-])ccc1F
InChIKey: XUCYJGMIICONES-UHFFFAOYSA-N
Summenformel: C7H6FNO2
Durchschnittliche Molmasse: 155,13 g/mol
Monoisotopische Masse: 155,03825665

Namen und Bezeichner

Bevorzugter Name: Benzene, 1-fluoro-2-methyl-4-nitro-
IUPAC: 1-fluoro-2-methyl-4-nitrobenzene
Lokaler Name: 2-Fluor-5-nitrotoluol
Englischer Name: 2-Fluoro-5-nitrotoluene
Summenformel: C7H6FNO2
Molmasse: 155.13

Namen und Synonyme

2-Fluoro-5-nitrotoluene455-88-9Benzene, 1-fluoro-2-methyl-4-nitro-EINECS 207-251-7DTXSID9060021RefChem:562485DTXCID8040430207-251-71-Fluoro-2-methyl-4-nitrobenzene4-fluoro-3-methylnitrobenzene1-fluoro-2-methyl-4-nitro-benzeneToluene, 2-fluoro-5-nitro-

Weitere Namen anzeigen

2-Fluoro-5-nitrotoluene,97%uoro-5-nitrotoLFluoronitrotolueneFluoronitrotoluene22-Fluor-5-nitrotoluol2-Fluoro-5-nitrotluene

5-nitro-2-fluorotolueneMFCD000072842-Methyl-4-nitrofluorobenzene3-Methyl-4-fluoronitrobenzene4-fluoro-3-methyl-nitrobenzeneCK1191AKOS005063604CS-W020035

Datenbank-Bezeichner

CAS: 455-88-9
PubChem CID: 68001
DTXSID: DTXSID9060021
UNII: GE8K87X255
EC Number: 207-251-7
Nikkaji: J56F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-40 °C (lit.)
Siedepunkt: 99 · 99-100 °C/13 mmHg (lit.)
Dichte: 1.3021 · 1.3021 (estimate)
Flammpunkt: 221 °F · 221 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to lump
Farbe: White to Light yellow to Green
BRN: 1940341 · 1940341
InChI: InChI=1S/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey: XUCYJGMIICONES-UHFFFAOYSA-N
SMILES: C1(F)=CC=C([N+]([O-])=O)C=C1C
CAS Datenbank: 455 · 455-88-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-fluoro-2-methyl-4-nitro-(455-88-9)
EPA chemische Informationen: 1 · Benzene, 1-fluoro-2-methyl-4-nitro- (455-88-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.

Warning

H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]

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 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20136

Hazard Classes and CategoriesAcute Tox. 4 (96%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN2811
hs_code: 29049090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-36/37/39-22
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3