Grundinformationen
- Standard-SMILES
Cc1c(N)cccc1[N+](=O)[O-]- InChIKey
HFCFJYRLBAANKN-UHFFFAOYSA-N- Summenformel
- C7H8N2O2
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,0585775
Überblick
2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-3-nitroaniline
- IUPAC
- 2-methyl-3-nitroaniline
- Lokaler Name
- 3-Nitro-o-toluidin
- Englischer Name
- 2-Methyl-3-nitroaniline
- Summenformel
- C7H8N2O2
- Molmasse
- 152.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
603-83-8- PubChem CID
- 11783
- DTXSID
DTXSID8025628- ChEMBL
CHEMBL1882292- UNII
- D3JC433CEB
- EC Number
- 210-059-6
- Nikkaji
- J85.099C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- 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
- 88 · 88-90 °C (lit.)
- Siedepunkt
- 305 °C · 305 °C (lit.)
- Dichte
- 1.378 · 1.378
- Brechungsindex
- 1.6394 · 1.6394 (estimate)
- Flammpunkt
- 305 °C · 305°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1 mg/l · <1mg/l
- Aggregatzustand
- Crystalline Powder
- pka
- 2.31 · 2.31±0.10(Predicted)
- Farbe
- Yellow to greenish-yellow
- Wasserlöslichkeit
- 0.1 g/100 · <0.1 g/100 mL at 23 ºC
- BRN
- 388393 · 388393
- InChI
- 1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
- InChIKey
- HFCFJYRLBAANKN-UHFFFAOYSA-N
- SMILES
- Cc1c(N)cccc1[N+]([O-])=O
- CAS Datenbank
- 603 · 603-83-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Methyl-3-nitroaniline(603-83-8)
- EPA chemische Informationen
- 2 · 2-Methyl-3-nitroaniline (603-83-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 2-methyl-3-nitro-
2-Methyl-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2660 6.1/PG 3
- hs_code
- 29214300
- RTECS-Nr.
- XU8200000
- risk_code
- 23/24/25-33-51/53
- hazard_code
- T,N
- hazard_note
- Toxic
- 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 Acute 1Aquatic Chronic 2STOT RE 2
Chemie und Industrie
Anwendungen
Verwenden2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline) has been used as a standard while evaluating the potential for degradation of nitroaromatic compounds by indigenous microorganisms.
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