2,6-ジクロロピリジン
2,6-Dichloropyridine
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基本情報
- CAS
2402-78-0- 標準SMILES
Clc1cccc(Cl)n1- InChIKey
FILKGCRCWDMBKA-UHFFFAOYSA-N- 分子式
- C5H3Cl2N
- 平均分子量
- 147.99 g/mol
- 単同位体質量
- 146.9642545
概要
structure in first source
名称と識別子
- 優先名称
- 2,6-Dichloropyridine
- IUPAC
- 2,6-dichloropyridine
- 現地名
- 2,6-ジクロロピリジン
- 英語名
- 2,6-Dichloropyridine
- 分子式
- C5H3Cl2N
- 分子量
- 147.99
名称と別名
2,6-DICHLOROPYRIDINE2402-78-0Pyridine, 2,6-dichloro-DTXSID2051895WM26PC2SBWNSC-76606DTXCID0030457RefChem:83196219-282-3MFCD000062442,6-dichlorpyridine2,6-Dichloro-pyridine
名称をさらに表示
2,6-ジクロロピリジン2,6-ジクロロピリジン 塩化物２，６ジクロロピリジン2,6‐ジクロロピリジン2,6-ジクロロピリジン, 98%26DCLPYAURORA KA-64952,6-DichLoropyridineAKOS BBS-000043142,6-Dichloropyridinr2,6-dichloro-pyridinTrazodone Impurity 30
WLN: T6NJ BG FG2,6-Dichloropyridine, 98%CCRIS 1727EINECS 219-282-3NSC 76606BRN 0108664NSC766062.6-dichloropyridine
データベース識別子
- CAS
2402-78-0- PubChem CID
- 16989
- DTXSID
DTXSID2051895- ChEMBL
CHEMBL3561947- UNII
- WM26PC2SBW
- EC Number
- 219-282-3
- Nikkaji
- J51.304K
物性
構造計算による物性補完中
- XLogP
- 2.2
- 極性表面積
- 12.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 68.8
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.15
Physical Description
Wet Solid
White crystalline solid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 83 · 83-86 °C (lit.)
- 沸点
- 211 °C · 211 °C
- 比重(密度)
- 1.5159 · 1.5159 (rough estimate)
- 屈折率
- 1.55 · 1.5500 (estimate)
- 闪点
- 110 °C · 110°C
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- 50 mg/mL、透明 · メタノール: 50 mg/mL、透明
- 外見
- 結晶性粉末
- 酸解離定数(Pka)
- -3.02 · -3.02±0.10(Predicted)
- 色
- 白からピンクまたは灰白色
- PH
- 6 · 6-7 (H2O, 20℃)(saturated solution)
- 水溶解度
- 1 g/L · <1 g/L (20 °C)
- BRN
- 108664 · 108664
- InChI
- 1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H
- InChIKey
- FILKGCRCWDMBKA-UHFFFAOYSA-N
- SMILES
- Clc1cccc(Cl)n1
- CAS データベース
- 2402 · 2402-78-0(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Pyridine, 2,6-dichloro-(2402-78-0)
- EPAの化学物質情報
- 2 · 2,6-Dichloropyridine (2402-78-0)
化学的性質
化学的特性White to light yellow solid
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 (96.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Pyridine, 2,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,6-dichloro- 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)
Pyridine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice; [RTECS] An irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesAcute Tox. 3 (96.6%)
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- US8400000
- ridadr
- UN 2811 6.1/PG 2
- 毒性
- mouse,LD50,intraperitoneal,115mg/kg (115mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: FATTY LIVER DEGERATIONBEHAVIORAL: ANTIPSYCHOTIC,Toxicology and Applied Pharmacology. Vol. 11, Pg. 361, 1967.
- hs_code
- 29333999
- risk_code
- 25-36/37/38-22-23/24/25
- 化審法
- (5)-3688
- hazard_code
- T,Xn
- hazard_note
- Toxic
- safety_code
- 36/37/39-45-37/39-26-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
U.S. Production2023: 53,953 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Pyridine, 2,6-dichloro-: ACTIVE
応用分野
用途有機合成原料(医薬、農薬)。
説明2,6-Dichloropyridine is an important intermediate that is widely used in the medicine and pesticide research field. It could be used as a starting material to synthesize the pirozadil (Pirozadil) which can be used for reducing blood-fat, and antiplatelet condensation. 2,6-dichloropyridine also can be used to synthetic musk pyridine with alternative natural musk. 2,3,5, 6-TCP produced by further chlorination of 2, 6-dichloropyridine is an important raw material for chlorpyrifos, which is widely used in the world with high efficiency, broad spectrum, and low residue.
使用2,6-Dichloropyridine is used in the preparation of triazolo and imidazo potassium channel antagonists as antiarrythmic agents.
調製方法
純化方法It crystallises from EtOH. [Beilstein 20/5 V 416.]
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