Grundinformationen
- Standard-SMILES
Cc1ccc(N)cc1[N+](=O)[O-]- InChIKey
GDIIPKWHAQGCJF-UHFFFAOYSA-N- Summenformel
- C7H8N2O2
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,0585775
Überblick
5-nitro-4-toluidine appears as a orange-red or yellow crystalline solid. Insoluble in water. May be toxic by ingestion. Used to make dyes and pigments.
Namen und Bezeichner
- Bevorzugter Name
- 4-Methyl-3-nitroaniline
- IUPAC
- 4-methyl-3-nitroaniline
- Lokaler Name
- 3-Nitro-p-toluidin
- Englischer Name
- 4-Methyl-3-nitroaniline
- Summenformel
- C7H8N2O2
- Molmasse
- 152.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
119-32-4、60999-18-0- PubChem CID
- 8390
- DTXSID
DTXSID7025633- ChEMBL
CHEMBL1350617- ChEBI
CHEBI:81670- UNII
- SM8UZ1Q81F
- EC Number
- 204-314-0
- Nikkaji
- J36.828H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- 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
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 · 74-77 °C(lit.)
- Siedepunkt
- 169 °C · 169 °C (21 mmHg)
- Dichte
- 1.312 · 1.312
- Dampfdichte
- 5.8 · 5.8
- Brechungsindex
- 1.6276 · 1.6276 (estimate)
- Flammpunkt
- 157 °C · 157 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1 g/l · <1g/l
- pka
- 2.96 · 2.96±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Ochre to orange or brown
- BRN
- 638984 · 638984
- InChIKey
- GDIIPKWHAQGCJF-UHFFFAOYSA-N
- CAS Datenbank
- 119 · 119-32-4(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenamine, 4-methyl-3-nitro-(119-32-4)
- EPA chemische Informationen
- 4 · 4-Methyl-3-nitroaniline (119-32-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (96.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 90 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 4-methyl-3-nitro-
Status: Active Update: 18-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22367
Benzenamine, 4-methyl-3-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2660 6.1/PG 3
- hs_code
- 29214300
- RTECS-Nr.
- XU8227250
- risk_code
- 23/24/25-33-51/53
- Toxizität
- LD50 orl-rat: 6860 mg/kg 28ZPAK -,133,72
- hazard_code
- T,N,Xi
- hazard_note
- Irritant
- safety_code
- 28-36/37-45-61-28A
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
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