2-Amino-4,6-Dinitrotoluene

2-Adnt · 3,5-dinitro-o-toluidin · 3,5-Dinitro-o-toluidine · o-Toluidine, 3,5-dinitro- · 2,4-Dinitro-6-aminotoluene · 4,6-Dinitrotoluene-2-amine · 2-Amino-4,6-dinitrotoluene · 2-Methyl-3,5-dinitroaniline

https://huagongshe.com/de/chemical/37182

Molekülstruktur von 2-Amino-4,6-Dinitrotoluene

Identifikatoren & physikalische Daten

CAS No.	35572-78-2
Summenformel	C7H7N3O4
Durchschnittliche Molmasse	197,15 g/mol
Monoisotopische Masse	197,04365571 g/mol
SMILES	Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey	IEEJAAUSLQCGJH-UHFFFAOYSA-N
PubChem CID	37182
ChEBI	CHEBI:19452
EC No.	690-132-0
DTXSID	DTXSID6044068

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	118
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	246
Schmelzpunkt	152 °C135 °C
Dampfdruck	0.00004 [mmHg]
Physical Description	Solid[DOD] Yellow powder[AccuStandard MSDS]
Kovats Retention Index	330.74
Siedepunkt	334.23°C (rough estimate)
Dichte	1.5115 (rough estimate)
Brechungsindex	1.5860 (estimate)
Flammpunkt	2℃
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	0.11±0.10(Predicted)
Hauptanwendungen	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	35572-78-2(CAS DataBase Reference)
EPA chemische Informationen	2-Amino-4,6-dinitrotoluene (35572-78-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.DangerH301 (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.
Gefahrenübersicht	Causes 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 Categories	Acute Tox. 3 (92.9%)STOT RE 2 (92.9%)Aquatic Chronic 2 (92.9%)
Protective Action Criteria (PAC)	4.2 [mg/m3]46 [mg/m3]280 [mg/m3]
Unerwünschte Wirkungen	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect