3-Nitro-p-tolualdehyd

3-Nitro-p-tolualdehyde

HCID 1798998

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Grundinformationen

CAS: 31680-07-6
Standard-SMILES: Cc1ccc(C=O)cc1[N+](=O)[O-]
InChIKey: KHWGAWBXQOKXIJ-UHFFFAOYSA-N
Summenformel: C8H7NO3
Durchschnittliche Molmasse: 165,15 g/mol
Monoisotopische Masse: 165,04259308

Namen und Bezeichner

Bevorzugter Name: 3-Nitro-p-tolualdehyde
IUPAC: 4-methyl-3-nitrobenzaldehyde
Lokaler Name: 3-Nitro-p-tolualdehyd
Englischer Name: 4-Methyl-3-nitrobenzaldehyde
Summenformel: C8H7NO3
Molmasse: 165.15

Namen und Synonyme

4-Methyl-3-nitrobenzaldehyde3-Nitro-p-tolualdehydeN5FD2YBQ8TDTXSID40185567P-TOLUALDEHYDE, 3-NITRO-EINECS 250-760-4RefChem:95011DTXCID80108058250-760-4KHWGAWBXQOKXIJ-UHFFFAOYSA-N31680-07-63-nitro-4-methylbenzaldehyde

Weitere Namen anzeigen

ASISCHEM R42201RARECHEM AH CK 0134Methylnitrobenzaldehyde4-Methyl-3-nitrobenzaldehyde 98%4-Methyl-3-nitrobenzaldehyde,98%4-Methyl-3-nitrobenzaldehyde, 95%+

4-methyl-3-nitro-benzaldehydeMFCD00017011Benzaldehyde, 4-methyl-3-nitro-4-Methyl-3-nitrobenzaldehyde, 98%STL286758AKOS000295657CS-W014308PS-5470

Datenbank-Bezeichner

CAS: 31680-07-6
PubChem CID: 1798998
DTXSID: DTXSID40185567
UNII: N5FD2YBQ8T
EC Number: 250-760-4
Nikkaji: J278.170K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
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

Schmelzpunkt: 46 · 46-49 °C (lit.)
Siedepunkt: 276 ℃ · 276℃
Dichte: 1.278 · 1.278
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Insoluble in water.
BRN: 1637706 · 1637706
InChI: 1S/C8H7NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3
InChIKey: KHWGAWBXQOKXIJ-UHFFFAOYSA-N
SMILES: Cc1ccc(C=O)cc1[N+]([O-])=O
CAS Datenbank: 31680 · 31680-07-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden4-Methyl-3-nitrobenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.