Grundinformationen
- Standard-SMILES
Cc1cc([N+](=O)[O-])ccc1N- InChIKey
XTTIQGSLJBWVIV-UHFFFAOYSA-N- Summenformel
- C7H8N2O2
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,0585775
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-4-nitroaniline
- IUPAC
- 2-methyl-4-nitroaniline
- Lokaler Name
- 4-Nitro-o-toluidin
- Englischer Name
- 2-Methyl-4-nitroaniline
- Summenformel
- C7H8N2O2
- Molmasse
- 152.15
Namen und Synonyme
2-Methyl-4-nitroaniline99-52-52-Amino-5-nitrotoluene4-Nitro-o-toluidineBenzenamine, 2-methyl-4-nitro-2-Methyl-4-nitrobenzenamine2-Methyl-4-nitrophenylamine4-NITRO-2-TOLUIDINE4-Nitro-o-toludineCCRIS 28772-Methyl-p-nitroanilineDTXSID3025629
Weitere Namen anzeigen
FAST REDPNOTredrlbase2-AMino-5-FAST RED RL BASETemloTempraCI 37100
FFY36EWC4RNSC 2075EINECS 202-762-13-Methyl-4-aminonitrobenzeneBRN 0775772Azoic diazo component 34, baseAI3-163122-Amino-1-methyl-5-nitrobenzene
Datenbank-Bezeichner
- CAS
99-52-5- PubChem CID
- 7441
- DTXSID
DTXSID3025629- ChEMBL
CHEMBL1319213- UNII
- FFY36EWC4R
- EC Number
- 202-762-1
- Nikkaji
- J95.088B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 71,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 155
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130-132 °C(lit.)
- Siedepunkt
- 294.61 °C · 294.61°C (rough estimate)
- Dichte
- 1.1586 · 1.1586
- Dampfdruck
- 20.4 hPa · 20.4hPa at 133.5℃
- Brechungsindex
- 1.6276 · 1.6276 (estimate)
- Flammpunkt
- 157.2 ℃ · 157.2℃
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Dichloromethane, DMSO, Ethyl Acetate, Methanol
- Aggregatzustand
- Crystalline Powder or Fine Needles
- pka
- 0.92 · 0.92±0.10(Predicted)
- Farbe
- Yellow to khaki or brownish
- PH
- 7 · 7 (H2O)(aqueous suspension)
- Wasserlöslichkeit
- 0.1 g/100 · <0.1 g/100 mL at 22 ºC
- BRN
- 775772 · 775772
- InChI
- 1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
- InChIKey
- XTTIQGSLJBWVIV-UHFFFAOYSA-N
- SMILES
- Cc1cc(ccc1N)[N+]([O-])=O
- LogP
- 1.311 at · 1.311 at 25℃
- CAS Datenbank
- 99 · 99-52-5(CAS DataBase Reference)
- NIST chemische Informationen
- 5 · 5-Nitro-2-aminotoluene(99-52-5)
- EPA chemische Informationen
- 2 · 2-Methyl-4-nitroaniline (99-52-5)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2660 (NITROTOLUIDINES (MONO))
- hs_code
- 29214300
- RTECS-Nr.
- XU8210000
- risk_code
- 23/24/25-33-51/53
- hazard_code
- T,N,Xi
- hazard_note
- Irritant
- safety_code
- 28-36/37-45-61-28A
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2STOT RE 2
Chemie und Industrie
Anwendungen
Verwenden2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.
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