1-Ethenyl-4-nitrobenzene

HCID 7481CAS 100-13-0

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Grundinformationen

Standard-SMILES: C=Cc1ccc([N+](=O)[O-])cc1
InChIKey: YFZHODLXYNDBSM-UHFFFAOYSA-N
Summenformel: C8H7NO2
Durchschnittliche Molmasse: 149,15 g/mol
Monoisotopische Masse: 149,04767846

Namen und Bezeichner

Bevorzugter Name: 1-Ethenyl-4-nitrobenzene
IUPAC: 1-ethenyl-4-nitrobenzene
Englischer Name: 4-NITROSTYRENE
Summenformel: C8H7NO2
Molmasse: 149.15

Namen und Synonyme

4-Nitrostyrene1-Ethenyl-4-nitrobenzeneRefChem:432184677-496-61-Nitro-4-vinylbenzene100-13-0p-NitrostyreneBenzene, 1-ethenyl-4-nitro-4-Nitrostyrene(stabilizedwithTBC)STYRENE, p-NITRO-MFCD000412544-Nitrostyrene (stabilized with TBC)

Weitere Namen anzeigen

p-nitro-styren1-Nitro-4-vinyL4-Nitrostyrene ,95%4-Nitrostyrene 1-Vinyl-4-nitrobenzene4-Nitrostyrene, GC 97%

CCRIS 16741-Nitro-4-vinyl-benzene4-Nitrostyrene; 1-Nitro-4-vinylbenzene; 1-ethenyl-4-nitrobenzene;4-nitro-styrenep-nitrophenylethyleneBenzene, 1-ethenyl-4-nitro- (9CI)SCHEMBL125083SCHEMBL638147

Datenbank-Bezeichner

CAS: 100-13-0
PubChem CID: 7481
DTXSID: DTXSID70142845
ChEMBL: CHEMBL164351
EC Number: 677-496-6
Nikkaji: J95.086F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Schmelzpunkt: 20 °C · 20°C
Siedepunkt: 120 °C · 120°C 10mm
Dichte: 1.163 · 1.163
Brechungsindex: 1.6045 · 1.6045
Flammpunkt: 109 °C · 109°C
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: soluble in Ether,Methanol,Chloroform,Ethanol
Aggregatzustand: powder to lump
Farbe: Light yellow to Yellow
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InChIKey: YFZHODLXYNDBSM-UHFFFAOYSA-N
SMILES: C1(C=C)=CC=C([N+]([O-])=O)C=C1
CAS Datenbank: 100 · 100-13-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (71.4%)

Sicherheitsdaten

hs_code: 29042090
RTECS-Nr.: WL5470000
risk_code: 20/21/22-36/37/38
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCan be used to introduce amino groups into polymers. The thermal degradation of styrene-4-nitrostyrene copolymers (SNS) has been studied using differential thermal analysis (DTA) and thermogravimetry (TGA) under isothermal and dynamic conditions in dynamic nitrogen. 4Nitrostyrene gives isomeric (4-nitropheny1)-propiona1dehydes in a 96% yield.