2,6-ジアミノピリジン
2,6-Diaminopyridine
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基本情報
- CAS
141-86-6- 標準SMILES
Nc1cccc(N)n1- InChIKey
VHNQIURBCCNWDN-UHFFFAOYSA-N- 分子式
- C5H7N3
- 平均分子量
- 109.13 g/mol
- 単同位体質量
- 109.06399722
概要
structure in first source
名称と識別子
- 優先名称
- 2,6-Diaminopyridine
- IUPAC
- pyridine-2,6-diamine
- 現地名
- 2,6-ジアミノピリジン
- 英語名
- 2,6-Diaminopyridine
- 分子式
- C5H7N3
- 分子量
- 109.13
名称と別名
2,6-Diaminopyridine141-86-6pyridine-2,6-diamine2,6-pyridinediaminepyridine, 2,6-diamino-DAP (amine)DTXSID0040127NSC-1921K89AB8CKG6RODOL 26PYRDTXCID8020127RefChem:83122
名称をさらに表示
2,6-ジアミノピリジン6-アミノ-2(1H)-ピリジンイミン2,6-ピリジンジアミンピリジン-2,6-ジアミン2,6‐ジアミノピリジン2,6-DAP6-DiaMinopyridine26BDNSC 4033462.6-DiaMinopyr
CHEBI:51598205-507-2Diaminopyridinepyridine-2,6-diyldiamineMFCD00006329NSC 19212,6-Diamino pyridine118352-40-2
データベース識別子
- CAS
141-86-6- PubChem CID
- 8861
- DTXSID
DTXSID0040127- ChEMBL
CHEMBL339234- UNII
- K89AB8CKG6
- EC Number
- 205-507-2
- Nikkaji
- J38.340F
物性
構造計算による物性補完中
- XLogP
- 0.2
- 極性表面積
- 64.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 66.1
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
CosmeticsHair dyeing
Boiling Point285 °C @760 [mm Hg]
Physical DescriptionSlightly brown solid; [EC: SCCS - Opinion] Light brown, yellow, or off-white powder or flakes; [Alfa Aesar MSDS]
Ionization Efficiency
Positive
3.05
1.9
Agilent XCT
Electrospray ionization
trifluoroacetic acid (10.4nM)
Collision Cross Section119.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0040127]
物理化学的性質
- 融点
- 117 · 117-122 °C (lit.)
- 沸点
- 285 °C · 285 °C (lit.)
- 比重(密度)
- 1.711 · 1.7110 (rough estimate)
- 屈折率
- 1.534 · 1.5340 (estimate)
- 闪点
- 155 °C · 155°C
- 貯蔵温度
- 30 °C · Store below +30°C.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 19 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: 2,6-Pyridinediamine
2,6-Diaminopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
One report of occupational contact dermatitis in the pharmaceutical industry; [NTP] A strong sensitizer based on the mouse local lymph node assay (LLNA); Oral LD50 (rat) = 50-300 mg/kg; A 90-day oral study of rats demonstrated the erythrocytes, spleen, kidney, and liver as target organs of toxicity (most changes recovering after 4-week recovery period); Developmental toxicity (decreased fetal and placental weights and incomplete thoracic vertebrae ossification) but no teratogenicity observed in oral study of rats in the presence of maternal toxicity; [EC: SCCS - Opinion] An irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (99%)
安全と保護具
Protective Action Criteria (PAC)
0.33 [mg/m3]
3.6 [mg/m3]
22 [mg/m3]
毒性情報
化学と産業
用途と製造
Uses
Used in oxidative hair dyes; [EC: SCCS - Opinion] Used as an intermediate for pharmaceuticals and polyamides, epoxy curing agent, and coupler in hair dyes; [NTP]
Plastic Composites Manufacturing [Category: Industry]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,6-Pyridinediamine: ACTIVE
応用分野
説明2,6-Diaminopyridine is an important organic reagent with a wide range of uses. It can be used for fluorescence detection, 2,6-Diaminopyridine fluorescence method for the determination of certain aromatic primary amines. It can also be used to prepare 2,6-Diaminopyridine imprinted core-shell nanoparticles. A new method for the detection of diaminopyridine derivatives using molecularly imprinted electrochemical sensors has been established, which has been applied to the detection of 2,6-Diaminopyridine in hair dyes with good sensitivity and selectivity.
使用2,6-Diaminopyridine, used as a pharmaceutical intermediate and a hair dye coupler in oxidation/permanent formulations.
調製方法
製造方法In a 600 mL autoclave equipped with a gas entrapment stirrer, a solution of 5 g CuI in 120 g aqueous ammonia (30% NH3 by weight) was added and mixed with 77 g ammonium acetate and 60 g of 2, 6-dichloropyridine. After purging with nitrogen, 24 g of liquid ammonia was added resulting in a pressure of about 150 psi (1.03 MPa). Subsequently, the reaction mixture was heated to 150°C for 8 h under stirring. Throughout the reaction, the pressure decreased from an initial pressure of 680 psi (4.69 MPa) to 450 psi (3.10 MPa). The reaction mixture was allowed to cool to room temperature, and the pressure was brought back to atmospheric pressure. Finally, 2,6-Diaminopyridine was obtained after purification.
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