基本情報
- CAS
119-26-6- 標準SMILES
NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HORQAOAYAYGIBM-UHFFFAOYSA-N- 分子式
- C6H6N4O4
- 平均分子量
- 198.14 g/mol
- 単同位体質量
- 198.03890467
概要
2,4-dinitrophenylhydrazine is a C-nitro compound that is phenylhydrazine substituted at the 2- and 4-positions by nitro groups. It has a role as a reagent. It is a member of phenylhydrazines and a C-nitro compound.
名称と識別子
- 優先名称
- (2,4-Dinitrophenyl)hydrazine
- IUPAC
- (2,4-dinitrophenyl)hydrazine
- 現地名
- 2,4-ジニトロフェニルヒドラジン
- 英語名
- 2,4-Dinitrophenylhydrazine
- 分子式
- C6H6N4O4
- 分子量
- 198.14
名称と別名
2,4-Dinitrophenylhydrazine119-26-6(2,4-Dinitrophenyl)hydrazine2,4-DnphHydrazine, (2,4-dinitrophenyl)-1-Hydrazino-2,4-dinitrobenzene1N39KD7QPJNSC-5709DTXSID2059485CHEBI:66932RefChem:443841DTXCID5033462
名称をさらに表示
2,4-ジニトロフェニルヒドラジン (エタノール溶液)2,4-ジニトロフェニルヒドラジン (約50%水湿潤品)２，４－ジニトロフェニルヒドラジン2，4-ジニトロフエニルヒドラジン2,4‐ジニトロフェニルヒドラジン2,4-ジニトロフェニルヒドラジン(50%含水)2,4-ジニトロフェニルヒドラジン (1000 UG/ML アセトニトリル溶液)DNP(2,4-dinitrophenyl)-hydrazinDINITROPHENYL HYDRAZINE2,4-dinitrophenyl-hydrazin2,4-Dinitrophenylhydrazine, 97%, moist with 30-35% water2,4-Dinitrophenylhydrazine, reagent grade, with 30 - 35% of H2O
204-309-3DNPHBrady's reagent2,4-DinitrofenylhydrazinNSC 57092,4-DNP hydrazineCCRIS 31402,4-Dinitrofenylhydrazin [Czech]
データベース識別子
- CAS
119-26-6- PubChem CID
- 3772977
- DTXSID
DTXSID2059485- ChEMBL
CHEMBL352799- ChEBI
CHEBI:66932- UNII
- 1N39KD7QPJ
- EC Number
- 204-309-3
- Nikkaji
- J2.913K
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 130 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 235
実験および物理化学的性質
Chemical ClassesOther Uses -> Explosives
SpringerMaterials PropertiesChemical shift
Vapor Pressure0.0000125 [mmHg]
Physical DescriptionBlue-red flourescent crystals; [Sax] Red powder; [MSDSonline]
物理化学的性質
- 融点
- 197 · 197-200 °C (lit.)
- 沸点
- 335.43 °C · 335.43°C (rough estimate)
- 比重(密度)
- 0.843 g/mL · 0.843 g/mL at 20 °C
- 屈折率
- 20 · n20/D 1.374
- 闪点
- 14 °C · 14 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 50 %硫酸：10 · 50%硫酸：10 mg/mL 無色透明
- 酸解離定数(Pka)
- 12.1 · 12.1(at 25℃)
- 外見
- クリスタル
- 色
- 赤
- 水溶解度
- わずかに溶ける
- Merck
- 14 · 14,3283
- BRN
- 615586 · 615586
- 安定性
- 湿ると安定しますが、乾くと爆発します。乾燥すると衝撃に弱い場合があります。とても燃えやすい。強力な酸化剤とは相容れない。
- 主な用途
- 燃料電池、微生物検出、抗菌剤、急性および慢性肝炎の治療、婦人科疾患、心血管疾患、脳血管疾患
- InChI
- 1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
- InChIKey
- HORQAOAYAYGIBM-UHFFFAOYSA-N
- SMILES
- NNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
- CAS データベース
- 119 · 119-26-6(CAS DataBase Reference)
- NISTの化学物質情報
- Hydrazine, (2,4-dinitrophenyl)-(119-26-6)
- EPAの化学物質情報
- 2 · 2,4-Dinitrophenylhydrazine (119-26-6)
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
Danger
H228 (93.4%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P370+P378, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 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
Chemical: Hydrazine, (2,4-dinitrophenyl)-
2,4-Dinitropenylhydrazine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryEmits nitrogen oxides when heated to decomposition; Toxic by ingestion; An eye irritant; [Sax] Highly flammable; Explosive when dry; [MSDSonline]
Hazard Classes and CategoriesFlam. Sol. 1 (93.4%)
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MV3325000
- ridadr
- UN 3380 4.1/PG 1
- hs_code
- 29280000
- risk_code
- 1-11-22-40-2001/11/22
- 化審法
- (3)-478
- 消防法
- 危険物第5類
- hazard_code
- F,Xn
- safety_code
- 35-48A-45-36/37-16
- hazard_class
- 4.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 OralDesen. Expl. 1
- ストレージクラス
- 4.1A - Other explosive hazardous materials
化学と産業
用途と製造
UsesA dangerous explosive; [Sax] Used as a reagent for aldehydes and ketones; [Merck Index, 3283]
General Manufacturing InformationHydrazine, (2,4-dinitrophenyl)-: ACTIVE
応用分野
解説C6H6N4O4(198.14)．2,4-ジニトロクロロベンゼンとヒドラジンとをエタノール中でアルカリ存在下に縮合させると得られる．"赤色の結晶．融点194 ℃．エタノール，酢酸エチルなどに熱時可溶，エーテル，クロロホルム，ベンゼンに難溶．カルボニル化合物と反応して，結晶性のよい2,4-ジニトロフェニルヒドラゾンをつくるので，カルボニル化合物の確認試薬として使われる．[CAS 119-26-6]森北出版「化学辞典（第2版）
説明2,4-Dinitrophenylhydrazine (abbreviated 2,4-DNP for short) is the chemical compound C6H3 (NO2) 2NHNH2, and it is often used to qualitatively test for carbonyl groups associated with aldehydes and ketones. The hydrazone derivatives can also be used as evidence toward the identity of the original compound. It is relatively sensitive to shock and friction; it is a shock explosive, so care must be taken with its use. To reduce its explosive hazard, it is usually supplied wet. 2,4-Dinitrophenylhydrazine is a compound with a benzene ring, two Nitro groups, and a hydrazine (two nitrogen atoms bonded directly to each other) functional group. It is used as a Brady's reagent to test the existing of a ketone or aldehyde.
使用2,4-Dinitrophenylhydrazine is known was Brady's reagent, a substituted hydrazine that is often used for qualitative testing of carbonyl groups associated with aldehydes and ketones.
一般的な説明2,4-Dinitrophenylhydrazine (DNPH), a hydrazine derivative, is a potential mutagenic agent. Its molecular and crystal structure has been analyzed. The intra- and intermolecular hydrogen bonds in DNPH have been investigated by vibrational spectroscopic analysis. The mechanism of isothermal degradation of DNPH has been studied by differential scanning calorimetry (DSC).
調製方法
純化方法Crystallise DNPH from butan-1-ol, dioxane, EtOH, *C6H6 or EtOAc. The hydrochloride has m 186o (dec). [Beilstein 15 IV 380.]
上流・下流製品情報
上流原料
下流製品
補足説明
定義ChEBI: 2,4-dinitrophenylhydrazine is a C-nitro compound that is phenylhydrazine substituted at the 2- and 4-positions by nitro groups. It has a role as a reagent. It is a member of phenylhydrazines and a C-nitro compound.
関連反応
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化合物ノート
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