2-Amino-4,6-Dinitrotoluene

HCID 37182CAS 35572-78-2

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

2-Methyl-3,5-dinitroaniline35572-78-22-AMINO-4,6-DINITROTOLUENE3,5-Dinitro-o-toluidine2,4-Dinitro-6-aminotoluene2-Adnt2-Methyl-3,5-dinitrobenzenamineDTXSID6044068189OOM840SCHEBI:19452RefChem:85167DTXCID4024068
Weitere Namen anzeigen
3,5-dinitro-o-toluidin4,6-Dinitrotoluene-2-amine3,5-Dinitro-6-methylaniline
Benzenamine, 2-methyl-3,5-dinitro-o-Toluidine, 3,5-dinitro-MFCD000245262-methyl-3,5-dinitrophenylamineCCRIS 5187BRN 23775152-Amino-4,6-dinitrotoluene (3,5-Dinitro-2-methylaniline)3,5-dinitro-2-methylaniline

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

Experimentelle und physikochemische Eigenschaften

Melting Point152 °C
Vapor Pressure0.00004 [mmHg]
Physical DescriptionSolid; [DOD] Yellow powder; [AccuStandard MSDS]
Kovats Retention Index330.74

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Hazards SummaryCauses excitement and somnolence in oral lethal-dose studies of rats; [RTECS] Has been detected in the urine of workers exposed to TNT; [EPA - PPRTV] May cause irritation; [AccuStandard MSDS] See 2,4,6-Trinitrotoluene.
Hazard Classes and CategoriesAcute Tox. 3 (92.9%);Acute Tox. 3 (92.9%);Acute Tox. 3 (92.9%);STOT RE 2 (92.9%);Aquatic Chronic 2 (92.9%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

4.2 [mg/m3]

46 [mg/m3]

280 [mg/m3]

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
RAIS Toxicity Values · 4 Einträge

0.0001

SCREEN Current

0.0003

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 Einträge

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 · 6 Einträge

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 · 6 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

UsesProduced from the microbial degradation of the explosive trinitrotoluene (TNT); [DOD] A major human metabolite of 2,4,6-trinitrotoluene (TNT); [EPA - PPRTV]

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter28 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group.

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