6-Chloro-2-picoline (HCID 87601)

名称と識別子

優先名称: 6-Chloro-2-picoline
IUPAC: 2-chloro-6-methylpyridine
現地名: 6-クロロ-2-ピコリン
英語名: 2-Chloro-6-methylpyridine
分子式: C6H6ClN
分子量: 127.57

名称と別名

2-Chloro-6-methylpyridine6-Chloro-2-picoline6-Chloro-2-methylpyridine6-methyl-2-chloropyridineEINECS 242-241-6UNII-39MX1LQ68L39MX1LQ68L2-Cl-6-(CH3)-pyridineDTXSID0022272RefChem:104387DTXCID502272GXZDYRYYNXYPMQ-UHFFFAOYSA-N

名称をさらに表示

6-クロロ-2-ピコリン2-クロロ-6-メチルピリジン6-メチル-2-クロロピリジン2-メチル-6-クロロピリジン6-クロロ-2-ピコリン塩化物2‐クロロ‐6‐メチルピリジン6-CHLORO-ALPHA-PICOLINEC2346-CH6-Chloropicoline2-Chloro-6-Pilcoline6-Chloro-2-picoline,98%

18368-63-3Pyridine, 2-chloro-6-methyl-2-Chloro-6-picoline2-Picoline, 6-chloro-MFCD000062452-chloro-6-methyl-pyridineSCHEMBL73851SCHEMBL111063

データベース識別子

CAS: 18368-63-3
PubChem CID: 87601
DTXSID: DTXSID0022272
UNII: 39MX1LQ68L
EC Number: 242-241-6
Nikkaji: J100.611H

物性

構造計算による物性

XLogP: 2.2
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: 0
重原子数: 8
形式電荷: 0
複雑度: 74

物理化学的性質

沸点: 64 · 64-68 °C10 mm Hg(lit.)
比重(密度): 1.167 g/mL · 1.167 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.527(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 1.1 · 1.10±0.10(Predicted)
外見: 液体
色: 無色透明～薄黄色
比重: 1.167 · 1.167
BRN: 107187 · 107187
InChI: InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChIKey: GXZDYRYYNXYPMQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1
CAS データベース: 18368 · 18368-63-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Cl-6-(CH3)-pyridine(18368-63-3)
EPAの化学物質情報: 2 · Pyridine, 2-chloro-6-methyl- (18368-63-3)

化学的性質

化学的特性Light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.9%): 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+P351+P338, P317, 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 47 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

Hazard Classes and CategoriesAcute Tox. 4 (14.9%)；Acute Tox. 4 (14.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (14.9%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
ridadr: UN2810
hs_code: 29333990
risk_code: 36/37/38-20/21/22
消防法: 危-4-3-III
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明2-Chloro-6-methylpyridine (2C6MP) is a strong inhibitor of methane monooxygenase, a key enzyme in the aerobic oxidation of methane (CH4). It belongs to the pesticide nitropyridine group of compounds. Studies have shown that 2C6MP has the least effect on CH4 oxidation at concentrations of 0.1 mM and 1 mM, but at a concentration of 10 mM, 2C6MP inhibits CH4 oxidation for >20 months. Low concentrations of 2C6MP did not inhibit Methylophilaceae, while high concentrations of 2C6MP inhibited Methylophilaceae by only 7.8 ± 1.1%[1].

使用2-Chloro-6-methylpyridine has been used for experimental FTIR and FT-Raman spectroscopic analyses, as well as for conformational studies.