2,3-ジクロロ-5-(トリクロロメチル)ピリジン

2,3-Dichloro-5-(trichloromethyl)pyridine

HCID 94647CAS 69045-83-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1cc(C(Cl)(Cl)Cl)cnc1Cl
InChIKey: XVBWGQSXLITICX-UHFFFAOYSA-N
分子式: C6H2Cl5N
平均分子量: 265.3 g/mol
単同位体質量: 262.86298746

名称と識別子

優先名称: 2,3-Dichloro-5-(trichloromethyl)pyridine
IUPAC: 2,3-dichloro-5-(trichloromethyl)pyridine
現地名: 2,3-ジクロロ-5-(トリクロロメチル)ピリジン
英語名: 2,3-Dichloro-5-(trichloromethyl)pyridine
分子式: C6H2Cl5N
分子量: 265.35

名称と別名

2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-6H56Z8J98WVPyridine, 2,3-dichloro-5-(trichloromethyl)-2,3-dichloro-5-trichloromethylpyridineDTXSID70295342,3-Dichloro-5-trichloromethyl-pyridineUNII-H56Z8J98WVDTXCID409534RefChem:81594614-912-7MFCD03701543

名称をさらに表示

2,3-ジクロロ-5-(トリクロロメチル)ピリジンPyridine,2,3-dichloro-5-(trichloromethyl)-69045-83-6 2,3-Dichloro-5-(trichloromethyl)pyridine2,3-Dichloro-5-(trichloromethyl)pyridine ISO 9001：2015 REACH

2 3-DICHLORO-5-(TRICHLOROMETHYL)PYRIDIN&SCHEMBL1747710CHEMBL3184088SCHEMBL29504068Tox21_301744AKOS005258558SB383402,3-dichloro-5-trichloromethyl pyridine

データベース識別子

CAS: 69045-83-6
PubChem CID: 94647
DTXSID: DTXSID7029534
ChEMBL: CHEMBL3184088
UNII: H56Z8J98WV
EC Number: 614-912-7
Nikkaji: J1.581.752F

物性

構造計算による物性

XLogP: 4.1
極性表面積: 12.9 Å²
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: 12
形式電荷: 0
複雑度: 157

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点: 278 · 278-279 °C(lit.)
比重(密度): 1.636 g/mL · 1.636 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5900(lit.)
闪点: 150 °F · 150 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -3.03 · -3.03±0.10(Predicted)
Henry's Law Constant: 8.4 · 8.4×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C6H2Cl5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey: XVBWGQSXLITICX-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(Cl)(Cl)Cl)C=C1Cl
EPAの化学物質情報: 2 · 2,3-Dichloro-5-(trichloromethyl)pyridine (69045-83-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Pyridine, 2,3-dichloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,3-dichloro-5-(trichloromethyl)- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

用途と製造

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyridine, 2,3-dichloro-5-(trichloromethyl)-: ACTIVE

応用分野

使用2,3-dichloro-5-(trifluoromethyl)pyridine (DCTF) is an important organic intermediate for the agrochemical industry in particular for use in the synthesis of fluazinam and fluopicolide as well as other pesticidal active pyridine compounds.