基本情報
- CAS
100-16-3- 標準SMILES
NNc1ccc([N+](=O)[O-])cc1- InChIKey
KMVPXBDOWDXXEN-UHFFFAOYSA-N- 分子式
- C6H7N3O2
- 平均分子量
- 153.14 g/mol
- 単同位体質量
- 153.05382646
概要
4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. It will emit toxic oxides of nitrogen when heated to decomposition. It is slightly heavier than water and insoluble in water. It may be irritating to skin, eyes and mucous membranes. It may be toxic by ingestion. It may be explosive and sensitive to friction in the dry state. It is used as a reagent for ketones and aliphatic aldehydes.
名称と識別子
- 優先名称
- (4-Nitrophenyl)hydrazine
- IUPAC
- (4-nitrophenyl)hydrazine
- 現地名
- 4-ニトロフェニルヒドラジン
- 英語名
- 4-Nitrophenylhydrazine
- 分子式
- C6H7N3O2
- 分子量
- 153.14
名称と別名
名称をさらに表示
データベース識別子
- CAS
100-16-3- PubChem CID
- 3310889
- DTXSID
DTXSID4059207- ChEBI
CHEBI:66931- UNII
- 2I8586432K
- EC Number
- 202-824-8
- Nikkaji
- J59.887I
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 83.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 137
実験および物理化学的性質
Physical Description
4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. It will emit toxic oxides of nitrogen when heated to decomposition. It is slightly heavier than water and insoluble in water. It may be irritating to skin, eyes and mucous membranes. It may be toxic by ingestion. It may be explosive and sensitive to friction in the dry state. It is used as a reagent for ketones and aliphatic aldehydes.
Orange-red solid; [Merck Index] Orange crystalline powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 156 °C · 156 °C (dec.)(lit.)
- 沸点
- 276.04 °C · 276.04°C (rough estimate)
- 比重(密度)
- 1 · 1.00
- 屈折率
- 1.691 · 1.6910 (estimate)
- 貯蔵温度
- Explosives area
- 酸解離定数(Pka)
- 3.81 · 3.81±0.20(Predicted)
- 色
- オレンジレッドのリーフレットまたは針
- 水溶解度
- 熱湯に溶ける
- Merck
- 14 · 14,6624
- BRN
- 608107 · 608107
- CAS データベース
- 100 · 100-16-3(CAS DataBase Reference)
- NISTの化学物質情報
- P-nitrophenyl hydrazine(100-16-3)
- EPAの化学物質情報
- Hydrazine, (4-nitrophenyl)- (100-16-3)
化学的性質
化学的特性white to light yellow crystal powde
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H228 (95.1%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: Hydrazine, (4-nitrophenyl)-
(4-Nitrophenyl)hydrazine: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
Reactivity Profile
4-NITROPHENYLHYDRAZINE is a powerful explosive. It can SELF-IGNITE in the presence of contaminants. Auto-ignition temperature may vary for 4-nitrophenylhydrazine similar to that of hydrazine which has an autoignition of as low as 74oC in contact with iron rust. Dangerous fire hazard or severe explosion can occur when exposed to heat, flame or oxidizing agents. Severe explosion may also occur by chemical reaction with alkali metals; BaO; CaO; K; Na; NH3; Cl2; chromates; CuO; Cu++ salts; F2; H2O2; iron rust; metallic oxides; PbO2;Ni; Ni(ClO4)2; HNO3; N2O; O2; liquid O2; K2Cr2O7; Na2Cr2O7; tetryl; zinc diamide; Zn(C2H5)2. Dangerous; when heated to decomposition it emits highly toxic nitrogen compounds; may explode by heat or chemical reaction. (Sax and Lewis, 1987) under Hydrazine p. 538-539.
DOT Hazard Classification
4-Nitrophenylhydrazine, with not less than 30 percent water, by mass
UN3376
Div 4.1 Flammable solid (49 eCFR § 173.124)
PG I: the degree of danger presented by the material is great
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
Immediate precautionary measure
安全データ
- F
- 4.6
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MV8225000
- ridadr
- UN 3376 (4-NITROPHENYLHYDRAZINE, with not less than 30 % water, by mass)
- 毒性
- mmo-sat 2 mmol/L AEMIDF 44,801,82
- hs_code
- 29280000
- risk_code
- 5-11-22-36/37/38-43-21/22
- 化審法
- (3)-477
- 消防法
- 危-5-II
- hazard_code
- F,Xn
- hazard_note
- Flammable/Harmful
- safety_code
- 16-26-36/37/39-37/39-36
- hazard_class
- 4.1
- packing_group
- I
化学と産業
用途と製造
応用分野
使用4-Nitrophenylhydrazine is a nitro substituted aryl hydrazine with potential anticancer activity. Irritant.
一般的な説明4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. 4-Nitrophenylhydrazine will emit toxic oxides of nitrogen when heated to decomposition. 4-Nitrophenylhydrazine is slightly heavier than water and insoluble in water. 4-Nitrophenylhydrazine may be irritating to skin, eyes and mucous membranes. 4-Nitrophenylhydrazine may be toxic by ingestion. 4-Nitrophenylhydrazine may be explosive and sensitive to friction in the dry state. 4-Nitrophenylhydrazine is used as a reagent for ketones and aliphatic aldehydes.
調製方法
純化方法Crystallise the hydrazine from EtOH. The hydrochloride has m 212o(dec) (from EtOH, also m 202-203o dec). [Beilstein 15 III 331, 15 IV 317.]
上流・下流製品情報
上流原料
下流製品
サプライヤー11 社
補足説明
定義ChEBI: A member of the class of phenylhydrazines that is phenylhydrazine substituted at the 4-position by a nitro group.
関連反応
化合物ノート
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