CAS 3512-75-2 4-Chloro-2,6-dimethylpyridine (HCID 588175)

基本情報

CAS: 3512-75-2
標準SMILES: Cc1cc(Cl)cc(C)n1
InChIKey: SXCXPXVEOPFPOH-UHFFFAOYSA-N
分子式: C7H8ClN
平均分子量: 141.6 g/mol
単同位体質量: 141.034527

名称と識別子

優先名称: 4-Chloro-2,6-dimethylpyridine
IUPAC: 4-chloro-2,6-dimethylpyridine
現地名: 4-クロロ-2,6-ジメチルピリジン
英語名: 4-Chloro-2,6-dimethylpyridine
分子式: C7H8ClN
分子量: 141.6

名称と別名

4-Chloro-2,6-dimethylpyridine3512-75-2DTXSID00343202RefChem:520872DTXCID20294282820-827-8MFCD01646174Pyridine, 4-chloro-2,6-dimethyl-2,6-dimethyl-4-chloropyridine4-Chloro-2,6-dimethyl-pyridine4-chlorolutidineSCHEMBL785805

名称をさらに表示

4-クロロ-2,6-ジメチルピリジン4-クロロ-2,6-ルチジン2,6-ジメチル-4-クロロピリジン4-Chloro-2,6-lutidine4-Chloro-2,6-dimethylpyridine ISO 9001：2015 REACH

4-Chloro-2,6-dimethylpyridine #4-Chloro-2,6-dimehtylpyridineorb1908272SCHEMBL16390906TNU0724BBL103944STL557754AKOS005257079

データベース識別子

CAS: 3512-75-2
PubChem CID: 588175
DTXSID: DTXSID00343202
EC Number: 820-827-8
Nikkaji: J1.429.145H

物性

構造計算による物性

XLogP: 2.3
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: 9
形式電荷: 0
複雑度: 84

物理化学的性質

沸点: 83 · 83-90 °C(Press: 40 Torr)
比重(密度): 1.113 · 1.113±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 5.22 · 5.22±0.10(Predicted)
外見: liquid
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (33.3%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): 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 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesFlam. Liq. 4 (33.3%)；Acute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)