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/ko/chemical/37182

식별자 및 물리적 특성

CAS No.	35572-78-2
분자식	C7H7N3O4
평균 분자량	197.15 g/mol
단동위원소 질량	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

화학 및 물리적 성질

XLogP	1.1
극성 표면적	118
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	246
녹는점	152 °C135 °C
증기압	0.00004 [mmHg]
Physical Description	Solid[DOD] Yellow powder[AccuStandard MSDS]
Kovats Retention Index	330.74
끓는 점	334.23°C (rough estimate)
밀도	1.5115 (rough estimate)
굴절률	1.5860 (estimate)
인화점	2℃
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
pKa(산도 계수)	0.11±0.10(Predicted)
주요 응용	환경
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
EPA	2-Amino-4,6-dinitrotoluene (35572-78-2)

안전 및 규제

RAIS Toxicity Values
GHS 분류	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.
유해성 요약	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]
유해 작용	Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect