2-ニトロジフェニルアミン

2-Nitrodiphenylamine

HCID 8407CAS 119-75-5

基本情報

標準SMILES
O=[N+]([O-])c1ccccc1Nc1ccccc1
InChIKey
RUKISNQKOIKZGT-UHFFFAOYSA-N
分子式
C12H10N2O2
平均分子量
214.22 g/mol
単同位体質量
214.07422756

概要

2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992)

名称と識別子

優先名称
2-Nitrodiphenylamine
IUPAC
2-nitro-N-phenylaniline
現地名
2-ニトロジフェニルアミン
英語名
2-Nitrodiphenylamine
分子式
C12H10N2O2
分子量
214.22

名称と別名

2-Nitrodiphenylamine119-75-52-Nitro-N-phenylanilineBenzenamine, 2-nitro-N-phenyl-o-(Phenylamino)nitrobenzeneCCRIS 6075DTXSID4025749EINECS 204-348-6N-Phenyl-2-nitrobenzenamineAI3-08882DTXCID7057492-nitro-n-phenylbenzeneamine
名称をさらに表示
2-ニトロジフェニルアミン2-ニトロ-N-フェニルベンゼンアミンN-フェニル-2-ニトロアニリンスーダンイエロー1339スダンイエロー13392-ニトロ-N-フェニルアニリン2-ニトロフェニルフェニルアミンフェニル(2-ニトロフェニル)アミンN-(2-ニトロフェニル)ベンゼンアミン2-ニトロ-(1,1'-イミノビスベンゼン)(2-ニトロフェニル)フェニルアミンフェニル2-ニトロフェニルアミン2-ニトロ-ジフェニルアミンN-(o-ニトロフェニル)アニリン2-ニトロ-(1,1′-イミノビスベンゼン)NitrodiphenylamineO-NITRO DIPHENYLAMINENSC 4754NSC 629274NSC 105613c.i. 10335Sudan Yellow 1339TIMTEC-BB SBB000544
PHENYL 2-NITROPHENYLAMINEoNitrodiphenylaminePHENYL(2-NITROPHENYL)AMINENPhenylonitroanilineoNitroNphenylaniline2NitroNphenylanilineDiphenylamine, 2nitroRefChem:88722

データベース識別子

CAS
119-75-5
PubChem CID
8407
DTXSID
DTXSID4025749
ChEMBL
CHEMBL1450018
UNII
DT9NA7ZDD8
EC Number
204-348-6
Nikkaji
J37.804F

物性

構造計算による物性

XLogP
3.7
極性表面積
57.9 Ų
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
2
重原子数
16

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitroanilines
SpringerMaterials PropertiesBoiling point
Density1.36 @25 °C
Solubility · 2 件

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

1.1 [ug/mL] (The mean of the results at pH 7.4)

Melting Point · 2 件

167.9 °F (NTP, 1992)

75.5 °C

Physical Description · 3 件

2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992)

CBI; Liquid

Orange solid; [Reference #1] Reddish-brown solid; [CAMEO] Red or orange crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点
74 · 74-76 °C(lit.)
沸点
346 °C · 346 °C
比重(密度)
1.36 · 1.36
蒸気密度
10.7 · 10.7 (vs air)
屈折率
1.666 · 1.6660 (estimate)
闪点
346 °C · 346°C

化学的性質

化学的特性Red Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 9 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, 2-nitro-N-phenyl-

Benzenamine, 2-nitro-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-nitro-N-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Benzenamine, 2-nitro-N-phenyl-: 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 HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Structurally similar chemicals may cause methemoglobinemia.
Hazards SummaryA skin, eye, mucous membrane, and upper respiratory tract irritant; May cause methemoglobinemia, based on structurally similar compounds; [NTP] A skin and strong eye irritant; [Alfa Aesar MSDS] See Otto fuel.
Reactive GroupAmines, Phosphines, and Pyridines

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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)]:
Protective Action Criteria (PAC) · 3 件

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

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)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
EPA Provisional Peer-Reviewed Toxicity Values · 3 件

2-Nitrodiphenylamine

PDF Document

2011

安全データ

wgk
3
tsca
TSCA listed
hs_code
29214400
risk_code
36/37/38
化審法
(3)-462
hazard_code
Xi

化学と産業

用途と製造

Uses · 1 件

Used to control the combustion of propylene glycol dinitrate in Otto fuel II (US navy propellant for torpedoes and other weapons systems); Also used as a solvent dye; [ATSDR Public Health Statements] Used as stabilizer for nitroglycerin and as a chemical intermediate; [NTP]

U.S. Production2023: <75,000 lb
Industry UsesOther
General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Benzenamine, 2-nitro-N-phenyl-: ACTIVE

応用分野 · 3 件

使用(2-Nitrophenyl)phenylamine (cas# 119-75-5) is a compound useful in organic synthesis.

使用2-Nitrodiphenylamine is used to control the combustion of propylene glycol dinitrate in Otto fuel II (US navy propellant for torpedoes and other weapons systems); Also used as a solvent dye; Used as stabilizer for nitroglycerin and as a chemical intermediate

一般的な説明Red-brown crystalline powder or reddish-brown solid.

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関連反応

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