4-Amino-2,6-Dinitrotoluene (HCID 29574)

概要

4-amino-2,6-dinitrotoluene is an amino-nitrotoluene that is 2,6-dinitrotoluene substituted at position 4 by an amino group. It has a role as an explosive, a marine metabolite and a fungal xenobiotic metabolite.

名称と識別子

優先名称: 4-Amino-2,6-Dinitrotoluene
IUPAC: 4-methyl-3,5-dinitroaniline
現地名: 4-アミノ-2,6-ジニトロトルエン
英語名: 4-Amino-2,6-dinitrotoluene
分子式: C7H7N3O4
分子量: 197.15

名称と別名

4-Amino-2,6-dinitrotoluene4-Methyl-3,5-dinitroaniline19406-51-03,5-Dinitro-4-methylaniline3,5-Dinitro-p-toluidine2,6-Dinitro-4-aminotoluenep-Toluidine, 3,5-dinitro-4-METHYL-3,5-DINITROBENZENAMINE4-AdntBenzenamine, 4-methyl-3,5-dinitro-NSC 25010VGF967AJX2

名称をさらに表示

4-アミノ-2,6-ジニトロトルエン4-アミノ-2,6-ジニトロトルエン, 0.1 mg/mL in MeOH:AcCN (50:50)4-アミノ-2,6-ジニトロトルエン, 1000 µg/mL in MeOH:AcCN (50:50)3,5-ジニトロ-p-トルイジン4-メチル-3,5-ジニトロアニリン2,6-ジニトロ-4-アミノトルエン2,6-ジニトロトルエン-4-アミン1-メチル-4-アミノ-2,6-ジニトロベンゼン3,5-ジニトロ-4-メチルアニリン4-メチル-3,5-ジニトロベンゼンアミン4-アミノ-2,6-ジニトロトルエン標準液AKOS B020145AKOS BC-0096ART-CHEM-BB B0201453,5-dinitro-p-toluidin2,4-Dinitro-m-toluidinem-Toluidine, 2,4-dinitro-3,5-DINITRO-PARA-TOLUIDINE

DTXSID8074312NSC-25010NSC-55353CHEBI:774241-AMINO-3,5-DINITRO-4-METHYLBENZENERefChem:517563DTXCID8036077153919-64-3

データベース識別子

CAS: 19406-51-0、58449-89-1
PubChem CID: 29574
DTXSID: DTXSID8074312
ChEBI: CHEBI:77424
UNII: VGF967AJX2
EC Number: 621-857-2
Nikkaji: J489.741B

物性

構造計算による物性

XLogP: 1.1
極性表面積: 118 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 222

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Vapor Pressure0.00004 [mmHg]

Physical DescriptionSolid; [DOD - USCHPPM]

物理化学的性質

融点: 171 °C · 171 °C
沸点: 382.6 · 382.6±37.0 °C(Predicted)
比重(密度): 1.497 · 1.497±0.06 g/cm3(Predicted)
貯蔵温度: room temp
酸解離定数(Pka): 0.74 · 0.74±0.10(Predicted)
Henry's Law Constant: 7.3 · 7.3×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
CAS データベース: 19406 · 19406-51-0(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Amino-2,6-dinitrotoluene (19406-51-0)

安全と法規制

GHS分類

GHS Classification · 5 件

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]

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.

危険有害性情報

Hazards Summary · 1 件

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] An irritant; Harmful by ingestion and inhalation; May induce methemoglobinemia; [AccuStandard MSDS] See 2,4,6-Trinitrotoluene and 5-Nitro-2-toluidine. Both chemicals are primary hepatotoxins.

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

RAIS Toxicity Values · 4 件

0.0001

SCREEN Current

0.0003

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 件

4-Amino-2,6-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 件

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 件

2.30e+01

3.40e+02

5.80e+00

5.00e+00

1.00e-04

Volatile

安全データ

wgk: 3
毒性: mouse,LD50,oral,1318mg/kg (1318mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. AD-A080-146,
risk_code: 23/24/25-33-51/53
hazard_code: T,N
safety_code: 28-36/37-45-61

化学と産業

用途と製造

UsesA primary reduction product of 2,4,6-trinitrotoluene (TNT); [DOD - USCHPPM] A major human metabolite of 2,4,6-trinitrotoluene (TNT); [EPA - PPRTV]

応用分野

使用4-Methyl-3,5-dinitroaniline is used in preparation and application of phosphorus-containing flame retardants carrying isocyanate groups.

サプライヤー26 社

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武汉凯威斯科技有限公司86-027-67849912 · [email protected]

補足説明

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

4-アミノ-2,6-ジニトロトルエン

基本情報

概要