结构:Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]
HCID37182

2-Amino-4,6-Dinitrotoluene

2-methyl-3,5-dinitroaniline

C7H7N3O4197.15 g/molCAS 35572-78-2

IDENTITY

结构与身份

标准 SMILES
Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
IEEJAAUSLQCGJH-UHFFFAOYSA-N
分子式
C7H7N3O4
平均分子量
197.15 g/mol
单同位素质量
197.04365571

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
118 Ų
氢键供体
1
氢键受体
5
可旋转键
0
重原子
14
形式电荷
0
复杂度
246

PROPERTIES

实验与物化性质

来源:PubChem
Melting Point

152 °C

Vapor Pressure

0.00004 [mmHg]

Physical Description

Solid; [DOD] Yellow powder; [AccuStandard MSDS]

Kovats Retention Index

330.74

GHS

GHS 分类

来源:PubChem
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.

HAZARDS

危害信息

来源:PubChem
Hazards Summary

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%);Acute Tox. 3 (92.9%);Acute Tox. 3 (92.9%);STOT RE 2 (92.9%);Aquatic Chronic 2 (92.9%)

SAFETY

安全与防护

来源:PubChem
Protective Action Criteria (PAC)

4.2 [mg/m3]

46 [mg/m3]

280 [mg/m3]

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

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

USES

用途与制造

来源:PubChem
Uses

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

ALIASES

名称与别名

41
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:85167DTXCID4024068Benzenamine, 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

REACTIONS

参与反应

0

当前筛选下没有反应记录。