Grundinformationen
- Standard-SMILES
Cc1cccc(C)c1[N+](=O)[O-]- InChIKey
HDFQKJQEWGVKCQ-UHFFFAOYSA-N- Summenformel
- C8H9NO2
- Durchschnittliche Molmasse
- 151,16 g/mol
- Monoisotopische Masse
- 151,06332853
Überblick
1,3-dimethyl-2-nitrobenzene is a clear yellow liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dimethylnitrobenzene
- IUPAC
- 1,3-dimethyl-2-nitrobenzene
- Lokaler Name
- 2-Nitro-m-xylol
- Englischer Name
- 2,6-Dimethyl-1-nitrobenzene
- Summenformel
- C8H9NO2
- Molmasse
- 151.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
81-20-9- PubChem CID
- 6672
- DTXSID
DTXSID7025134- ChEMBL
CHEMBL1609131- UNII
- 6G9386D931
- EC Number
- 201-333-6
- Nikkaji
- J54.461B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 143
Experimentelle und physikochemische Eigenschaften
Density
1.112 at 59 °F (NTP, 1992) - Denser than water; will sink
1.112 @ 15°C
Boiling Point
437 °F at 744 mmHg (NTP, 1992)
226 °C @760 [mm Hg]
Physikochemische Eigenschaften
- Schmelzpunkt
- 14 · 14-16 °C(lit.)
- Siedepunkt
- 225 °C744 · 225 °C744 mm Hg(lit.)
- Dichte
- 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.521(lit.)
- Flammpunkt
- 190 °F · 190 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform (Soluble), Methanol (Slightly)
- Aggregatzustand
- liquid
- Farbe
- White or Colorless to Yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 2046066 · 2046066
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
- InChIKey
- HDFQKJQEWGVKCQ-UHFFFAOYSA-N
- SMILES
- Cc1cccc(C)c1[N+]([O-])=O
- CAS Datenbank
- 81 · 81-20-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,3-dimethyl-2-nitro-(81-20-9)
- EPA chemische Informationen
- 2 · 2-Nitro-m-xylene (81-20-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 5.9% (3 of 51) of reports.
H411 (92.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 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.
Protective Action Criteria (PAC)
5.1 [mg/m3]
56 [mg/m3]
330 [mg/m3]
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
- 2
- tsca
- TSCA listed
- ridadr
- UN 1665 6.1/PG 2
- hs_code
- 29042000
- RTECS-Nr.
- ZE4686000
- risk_code
- 51/53-20/21-40-36/37/38-23/24/25-38-11
- Toxizität
- LD50 ivn-mus: 45 mg/kg CSLNX* NX#00236
- hazard_code
- N,Xn,F,T,Xi
- safety_code
- 61-36/37-36-26-16-45-36/37/39-13-24-9
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Nitro-m-xylene is employed as a pharmaceutical intermediate in organic synthesis. It is also used in the preparation of Direct Violet 7 and solvent Red 26. Further, it is used in the petrochemical industry.
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