4-Methyl-2-nitrobenzaldehyde

HCID 590446

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Grundinformationen

CAS: 20357-22-6
Standard-SMILES: Cc1ccc(C=O)c([N+](=O)[O-])c1
InChIKey: FDYADQPZUDULNK-UHFFFAOYSA-N
Summenformel: C8H7NO3
Durchschnittliche Molmasse: 165,15 g/mol
Monoisotopische Masse: 165,04259309

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-2-nitrobenzaldehyde
IUPAC: 4-methyl-2-nitrobenzaldehyde
Englischer Name: 4-Methyl-2-nitrobenzaldehyde
Summenformel: C8H7NO3
Molmasse: 165.15

Namen und Synonyme

4-Methyl-2-nitrobenzaldehyde20357-22-6Benzaldehyde, 4-methyl-2-nitro-p-Tolualdehyde, 2-nitro-DTXSID60343546RefChem:99733DTXCID60294625FDYADQPZUDULNK-UHFFFAOYSA-NMFCD086698952-nitro-4-methylbenzaldehydeSCHEMBL3017185CL9242

Weitere Namen anzeigen

4-Methyl-2-nitrobenzaldehyde 98%

AKOS005215975CS-W022211AB46097AS-10040SY114598AMY14425FT-0687009SCHEMBL27923683

Datenbank-Bezeichner

CAS: 20357-22-6
PubChem CID: 590446
DTXSID: DTXSID60343546
EC Number: 160-837-3
Nikkaji: J101.562A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 62,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 187

Physikochemische Eigenschaften

Siedepunkt: 309.4 · 309.4±30.0 °C(Predicted)
Dichte: 1.278 · 1.278±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5H,1H3
InChIKey: FDYADQPZUDULNK-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C)C=C1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]；H319 (100%): Causes serious eye irritation [Warning 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]

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 2 reports by companies from 1 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.