3,5-ジニトロ-6-メチルアニリン

2-Amino-4,6-Dinitrotoluene

HCID 37182CAS 35572-78-2

基本情報

標準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
単同位体質量
197.04365571

名称と識別子

優先名称
2-Amino-4,6-Dinitrotoluene
IUPAC
2-methyl-3,5-dinitroaniline
現地名
3,5-ジニトロ-6-メチルアニリン
英語名
2-Amino-4,6-dinitrotoluene
分子式
C7H7N3O4
分子量
197.15

名称と別名

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
名称をさらに表示
1-メチル-2-アミノ-4,6-ジニトロベンゼン2-メチル-3,5-ジニトロベンゼンアミン2-メチル-3,5-ジニトロアニリン2,4-ジニトロ-6-アミノトルエン3,5-ジニトロ-6-メチルアニリン3,5-ジニトロ-2-メチルアニリン2-アミノ-4,6-ジニトロトルエン4,6-ジニトロトルエン-2-アミン2-アミノ-4,6-ジニトロトルエン, 0.1 mg/mL in MeOH:AcCN (50:50)2-アミノ-4,6-ジニトロトルエン, 1000 µg/mL in MeOH:AcCN (50:50)2-アミノ-4,6-ジニトロトルエン標準液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

データベース識別子

CAS
35572-78-2
PubChem CID
37182
DTXSID
DTXSID6044068
ChEBI
CHEBI:19452
UNII
189OOM840S
EC Number
690-132-0
Nikkaji
J48.076B

物性

構造計算による物性

XLogP
1.1
極性表面積
118 Ų
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

実験および物理化学的性質

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

物理化学的性質

融点
135 °C · 135 °C
沸点
334.23 °C · 334.23°C (rough estimate)
比重(密度)
1.5115 · 1.5115 (rough estimate)
屈折率
1.586 · 1.5860 (estimate)
闪点
2 ℃ · 2℃
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

安全と法規制

GHS分類

GHS Classification · 6 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];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.

危険有害性情報

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%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

4.2 [mg/m3]

46 [mg/m3]

280 [mg/m3]

毒性情報

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

0.0001

SCREEN Current

0.0003

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 件

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 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
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

化学と産業

用途と製造

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

上流・下流製品情報

サプライヤー28 社

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]

補足説明

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

関連反応

3 件

関連ノート

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