4-Methyl-3-nitroaniline (HCID 8390)

概要

5-nitro-4-toluidine appears as a orange-red or yellow crystalline solid. Insoluble in water. May be toxic by ingestion. Used to make dyes and pigments.

名称と識別子

優先名称: 4-Methyl-3-nitroaniline
IUPAC: 4-methyl-3-nitroaniline
現地名: 4-メチル-3-ニトロアニリン
英語名: 4-Methyl-3-nitroaniline
分子式: C7H8N2O2
分子量: 152.15

名称と別名

4-Methyl-3-nitroaniline119-32-44-Amino-2-nitrotoluene3-Nitro-p-toluidine3-Nitro-4-toluidine3-Nitro-4-methylaniline2-Nitro-4-aminotoluenem-Nitro-p-toluidineBenzenamine, 4-methyl-3-nitro-5-Nitro-4-toluidinep-Toluidine, 3-nitro-DTXSID7025633

名称をさらに表示

4-メチル-3-ニトロアニリン2-ニトロ-4-アミノトルエン4-アミノ-2-ニトロトルエン1-メチル-4-アミノ-2-ニトロベンゼン3-ニトロ-p-トルイジン3-ニトロ-4-メチルアニリン3-ニトロ-4-メチルベンゼンアミン4-メチル-3-ニトリルアニリン4-メチル-M-ニトロアニリン3-ニトロ p-トルイジン4-アミノ-1-メチル-2-ニトロベンゼン5‐ニトロ‐O‐トルイジン4-アミノ-2-ニトロトルエン標準品MNPTMETA NITRO PARA TOLUIDINEFAST RED GL BASEGl-aminFAST RED GLFAST RED G BASE

4-methyl-3-nitrobenzenamineSM8UZ1Q81F1-Amino-3-nitro-4-methylbenzeneNSC-7731DTXCID805633RefChem:99774204-314-0GL-Amin [Czech]

データベース識別子

CAS: 119-32-4、60999-18-0
PubChem CID: 8390
DTXSID: DTXSID7025633
ChEMBL: CHEMBL1350617
ChEBI: CHEBI:81670
UNII: SM8UZ1Q81F
EC Number: 204-314-0
Nikkaji: J36.828H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 71.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 155

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

Density1.312 (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)

Flash Point315 °F (NTP, 1992)

Melting Point172 to 174 °F (NTP, 1992)

Vapor Density5.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

物理化学的性質

融点: 74 · 74-77 °C(lit.)
沸点: 169 °C · 169 °C (21 mmHg)
比重(密度): 1.312 · 1.312
蒸気密度: 5.8 · 5.8
屈折率: 1.6276 · 1.6276 (estimate)
闪点: 157 °C · 157 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 1 g/l · <1g/l
酸解離定数(Pka): 2.96 · 2.96±0.10(Predicted)
外見: 粉
色: 黄土色からオレンジ色または茶色
BRN: 638984 · 638984
InChIKey: GDIIPKWHAQGCJF-UHFFFAOYSA-N
CAS データベース: 119 · 119-32-4(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzenamine, 4-methyl-3-nitro-(119-32-4)
EPAの化学物質情報: 4 · 4-Methyl-3-nitroaniline (119-32-4)

化学的性質

化学的特性Orange Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (96.7%): 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 90 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenamine, 4-methyl-3-nitro-

Status: Active Update: 18-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22367

Benzenamine, 4-methyl-3-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelPoison

Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Reactivity Profile5-NITRO-4-TOLUIDINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents (NTP, 1992).

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

安全データ

wgk: 2
tsca: TSCA listed
rtecs: XU8227250
ridadr: UN 2660 6.1/PG 3
毒性: LD50 orl-rat: 6860 mg/kg 28ZPAK -,133,72
PRTR法: 2-92
hs_code: 29214300
risk_code: 23/24/25-33-51/53
化審法: (3)-401
hazard_code: T,N,Xi
hazard_note: Irritant
safety_code: 28-36/37-45-61-28A
hazard_class: 6.1
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 4-methyl-3-nitro-: ACTIVE

調製方法

純化方法Crystallise the aniline from hot water (charcoal), then ethanol and dry it in a vacuum desiccator. [Beilstein 12 H 966.]

上流・下流製品情報

下流製品

6-メトキシインドール-3-カルボン酸 6-ブロモインドール-3-カルボキシアルデヒドローダミン6G 2-ブロモ-4-クロロトルエン 3-フルオロ-4-メチル安息香酸 5-フルオロ-2-メチルアニリン 4-フルオロ-2-ニトロ安息香酸 4-ブロモ-2-ニトロトルエン 4-ブロモ-2-クロロ安息香酸 4-メチル-3-ニトロベンゼンスルホニルクロリド 5-ニトロ-o-クレゾール 2,4-ジヒドロ-5-メチル-4-[(4-メチル-3-ニトロフェニル)アゾ]-2-フェニル-3H-ピラゾール-3-オン

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4-メチル-3-ニトロアニリン

基本情報

概要