2-Methyl-3-nitroaniline (HCID 11783)

概要

2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)

名称と識別子

優先名称: 2-Methyl-3-nitroaniline
IUPAC: 2-methyl-3-nitroaniline
現地名: 2-メチル-3-ニトロアニリン
英語名: 2-Methyl-3-nitroaniline
分子式: C7H8N2O2
分子量: 152.15

名称と別名

2-Methyl-3-nitroaniline603-83-82-Amino-6-nitrotoluene3-NITRO-O-TOLUIDINEBenzenamine, 2-methyl-3-nitro-o-Toluidine, 3-nitro-2-methyl-3-nitrobenzenamine1-Amino-2-methyl-3-nitrobenzeneDTXSID8025628D3JC433CEB6-nitro-2-aminotoluene6-Amino-2-nitrotoluene

名称をさらに表示

2-メチル-3-ニトロアニリン1-メチル-2-アミノ-6-ニトロベンゼン2-アミノ-6-ニトロトルエン2-メチル-3-ニトロベンゼンアミン3-ニトロ-o-トルイジン3-ニトロ-2-メチルアニリン１-アミノ-2-メチル-3-ニトロベンゼン2‐メチル‐3‐ニトロアニリン2-メチル-3-ニトロアニリン, 98%2-アミノ-6-ニトロトルエン標準品-3-nitroaniL3-nitro-o-toluidinMethyl-3-nitroanilLABOTEST-BB LTBB0006222-Methy-3-nitroaniline2-NITRO-6-AMINOTOLUENE

NSC-227939DTXCID505628NSC-25011RefChem:475379210-059-62-methyl-3-nitro-anilineMFCD000077312-methyl-3-nitro-phenylamine

データベース識別子

CAS: 603-83-8
PubChem CID: 11783
DTXSID: DTXSID8025628
ChEMBL: CHEMBL1882292
UNII: D3JC433CEB
EC Number: 210-059-6
Nikkaji: J85.099C

物性

構造計算による物性

XLogP: 1.8
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

Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)

Boiling Point581 °F at 760 mmHg (decomposes) (NTP, 1992)

Melting Point198 °F (NTP, 1992)

Physical Description2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)

物理化学的性質

融点: 88 · 88-90 °C (lit.)
沸点: 305 °C · 305 °C (lit.)
比重(密度): 1.378 · 1.378
屈折率: 1.6394 · 1.6394 (estimate)
闪点: 305 °C · 305°C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 1 mg/l · <1mg/l
外見: 結晶性粉末
酸解離定数(Pka): 2.31 · 2.31±0.10(Predicted)
色: 黄色から緑がかった黄色
水溶解度: 0.1 g/100 · <0.1 g/100 mL で 23 ºC
BRN: 388393 · 388393
InChI: 1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
InChIKey: HFCFJYRLBAANKN-UHFFFAOYSA-N
SMILES: Cc1c(N)cccc1[N+]([O-])=O
CAS データベース: 603 · 603-83-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Methyl-3-nitroaniline(603-83-8)
EPAの化学物質情報: 2 · 2-Methyl-3-nitroaniline (603-83-8)

化学的性質

化学的特性YELLOW TO GREENISH-YELLOW CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenamine, 2-methyl-3-nitro-

2-Methyl-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Symptoms of exposure to this compound include skin and eye irritation.

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

Reactivity Profile2-METHYL-3-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizers. (NTP, 1992)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

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 Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

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

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk: 3
rtecs: XU8200000
ridadr: UN 2660 6.1/PG 3
hs_code: 29214300
risk_code: 23/24/25-33-51/53
hazard_code: T,N
hazard_note: Toxic
safety_code: 28-36/37-45-61-28A
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline) has been used as a standard while evaluating the potential for degradation of nitroaromatic compounds by indigenous microorganisms.

一般的な説明Yellow rhombic needles (from water) or bright yellow powder.

調製方法

6-Nitro-o-toluidine is produced by sulfide reduction of 2,6-dinitrotoluene in a process similar to that for 3-nitroaniline or by controlled hydrogenation of 2,6-dinitrotoluene with palladium on a carbon catalyst.

純化方法Crystallise the nitrotoluidine from EtOH or *C6H6. It is steam volatile. The acetyl derivative crystallises from aqueous EtOH and has m 164o. [Beilstein 12 I 395, 12 II 460, 12 III 1944, 2 IV 1811.]