基本情報
- 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
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
名称をさらに表示
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
- 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
実験および物理化学的性質
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
GHS分類
GHS Classification
Danger
H301 (96.6%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (15.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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
毒性情報
法規制情報
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
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
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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