3-(クロロメチル)-2,6-ジクロロピリジン

Pyridine, 2,6-dichloro-3-(chloromethyl)-

HCID 6451791CAS 41789-37-1

部分構造検索類似構造を探す

基本情報

標準SMILES: ClCc1ccc(Cl)nc1Cl
InChIKey: CMPPTKONDXHDBF-UHFFFAOYSA-N
分子式: C6H4Cl3N
平均分子量: 196.5 g/mol
単同位体質量: 194.940932

名称と識別子

優先名称: Pyridine, 2,6-dichloro-3-(chloromethyl)-
IUPAC: 2,6-dichloro-3-(chloromethyl)pyridine
現地名: 3-(クロロメチル)-2,6-ジクロロピリジン
英語名: 2,6-Dichloro-3-(chloromethyl)pyridine
分子式: C6H4Cl3N
分子量: 196.46

名称と別名

41789-37-1Pyridine, 2,6-dichloro-3-(chloromethyl)-DTXSID20194612RefChem:376520DTXCID601171032,6-Dichloro-3-(chloromethyl)pyridineMFCD07368052SCHEMBL3788322,6-dichloro-3-chloromethylpyridine2,6-Dichloro-3-chloromethyl-pyridine2,6-dichloro-5-pyridylmethyl chloride2,6-dichloro-3-pyridyl

名称をさらに表示

3-(クロロメチル)-2,6-ジクロロピリジン2,6-ジクロロ-3-(クロロメチル)ピリジン2,6-Dichloro-3-picolyl chloride3-(Chloromethyl)-2,6-dichloropyridine

2,6-Dichlor-3-chlormethylpyridineSBB0920382,6-dichloro-3-pyridylmethyl chlorideAKOS005072923AB31596GD-07352,6-dichloro -3-pyridylmethyl chlorideAC-14623

データベース識別子

CAS: 41789-37-1
PubChem CID: 6451791
DTXSID: DTXSID20194612
EC Number: 992-504-0

物性

構造計算による物性

XLogP: 3.2
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: 1
重原子数: 10
形式電荷: 0
複雑度: 109

物理化学的性質

融点: 89 · 89-90°
沸点: 285.5 · 285.5±35.0 °C(Predicted)
比重(密度): 1.463 · 1.463
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.34 · -3.34±0.10(Predicted)
InChI: InChI=1S/C6H4Cl3N/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2
InChIKey: CMPPTKONDXHDBF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1CCl

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.