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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 234
実験および物理化学的性質
Solubility
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
167.9 °F (NTP, 1992)
75.5 °C
Physical Description
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
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- クロロホルム(微量)、DMSO(微量)、メタノール(微量、超音波処理)
- 外見
- 個体
- 酸解離定数(Pka)
- -3.39 · -3.39±0.20(Predicted)
- 色
- 赤
- 水溶解度
- 無視できる
- BRN
- 2213591 · 2213591
- InChIKey
- RUKISNQKOIKZGT-UHFFFAOYSA-N
- CAS データベース
- 119 · 119-75-5(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Benzenamine, 2-nitro-N-phenyl-(119-75-5)
- EPAの化学物質情報
- 2 · 2-Nitrodiphenylamine (119-75-5)
化学的性質
化学的特性Red Crystalline Solid
安全と法規制
GHS分類
GHS Classification
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
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.
安全と保護具
First Aid
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
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.
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Personal Protective Equipment (PPE)
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
EPA Provisional Peer-Reviewed Toxicity Values
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
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
化学と産業
用途と製造
Uses
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]
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzenamine, 2-nitro-N-phenyl-: ACTIVE
応用分野
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.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…