Grundinformationen
- Standard-SMILES
Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
IEEJAAUSLQCGJH-UHFFFAOYSA-N- Summenformel
- C7H7N3O4
- Durchschnittliche Molmasse
- 197,15 g/mol
- Monoisotopische Masse
- 197,04365571
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-4,6-Dinitrotoluene
- IUPAC
- 2-methyl-3,5-dinitroaniline
- Englischer Name
- 2-Amino-4,6-dinitrotoluene
- Summenformel
- C7H7N3O4
- Molmasse
- 197.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
35572-78-2- PubChem CID
- 37182
- DTXSID
DTXSID6044068- ChEBI
CHEBI:19452- UNII
- 189OOM840S
- EC Number
- 690-132-0
- Nikkaji
- J48.076B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 118 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 246
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 135 °C · 135 °C
- Siedepunkt
- 334.23 °C · 334.23°C (rough estimate)
- Dichte
- 1.5115 · 1.5115 (rough estimate)
- Brechungsindex
- 1.586 · 1.5860 (estimate)
- Flammpunkt
- 2 ℃ · 2℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 0.11 · 0.11±0.10(Predicted)
- Major Application
- environmental
- InChI
- 1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3
- InChIKey
- IEEJAAUSLQCGJH-UHFFFAOYSA-N
- CAS Datenbank
- 35572 · 35572-78-2(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Amino-4,6-dinitrotoluene (35572-78-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (92.9%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (92.9%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (92.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 42 reports by companies.;There are 2 notifications provided by 39 of 42 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
4.2 [mg/m3]
46 [mg/m3]
280 [mg/m3]
Toxikologische Informationen
RAIS Toxicity Values
0.0001
SCREEN Current
0.0003
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
2-Amino-4,6-Dinitrotoluene
1 x 10^-4 mg/kg-day
3 x 10^-4 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2020
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
7.70e+00
1.10e+02
1.90e+00
5.00e+00
1.50e-03
1.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
2.30e+01
3.40e+02
5.80e+00
5.00e+00
1.00e-04
Volatile
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1648 3/PG 2
- risk_code
- 11-23/24/25-36/37/38-36-20/21/22-51/53-33
- hazard_code
- Xi,T,F,Xn,N
- safety_code
- 16-27-45-36/37-26-61-28
- hazard_class
- IRRITANT
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Chemie und Industrie
Verwendung und Herstellung
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter28 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group.
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