2,3,5-Trimethylpyridine (HCID 12759)

名称と識別子

優先名称: 2,3,5-Trimethylpyridine
IUPAC: 2,3,5-trimethylpyridine
現地名: 2,3,5-トリメチルピリジン
英語名: 2,3,5-Collidine
分子式: C8H11N
分子量: 121.18

名称と別名

2,3,5-Trimethylpyridine695-98-72,3,5-COLLIDINEPyridine, 2,3,5-trimethyl-EINECS 211-786-133642OT638DTXSID80219734UNII-33642OT638RefChem:81413DTXCID30142225211-786-1GFYHSKONPJXCDE-UHFFFAOYSA-N

名称をさらに表示

2,3,5-トリメチルピリジン2,3,5-コリジン2，3，5コリジン2,3,5‐コリジン2,3,5-TrimethyL235CO5-Collidine2,3,5-Collidine, 98%3,5-Trimethylpyridine2,3,5-Collidine, 99+%

2,3,5-Trimethyl pyridineMFCD001268402,3,5-trimethyl-pyridineEsomeprazole Impurity 92,3,5-Trimethyl-pyridinEsomeprazole Impurity 111SCHEMBL74872,3,5-Collidine, 99%

データベース識別子

CAS: 695-98-7
PubChem CID: 12759
DTXSID: DTXSID80219734
UNII: 33642OT638
EC Number: 211-786-1
Nikkaji: J45.579B

物性

構造計算による物性

XLogP: 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: 9
形式電荷: 0
複雑度: 90

実験および物理化学的性質

Kovats Retention Index · 3 件

1055；1060；1045.2

1076

1484

物理化学的性質

融点: -56.98 °C · -56.98°C (estimate)
沸点: 184 °C · 184 °C(lit.)
比重(密度): 0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.508(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 6.53 · 6.53±0.20(Predicted)
外見: 液体
比重: 0.94 · 0.94
色: 無色透明～ごくわずかに黄色
水溶解度: わずかに溶ける
BRN: 108832 · 108832
InChI: 1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N
SMILES: Cc1cnc(C)c(C)c1
CAS データベース: 695 · 695-98-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyridine, 2,3,5-trimethyl-(695-98-7)

化学的性質

化学的特性clear colourless to very slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.4%): 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 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): 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 48 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 (10.4%)；Acute Tox. 4 (10.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.4%)；STOT SE 3 (95.8%)

安全データ

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29333990
risk_code: 36/37/38-20/21/22
化審法: (5)-715
消防法: 危-4-3-III
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36-36/37
hazard_class: 6.1
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

用途有機合成原料。

使用2,3,5-Collidine is omeprazole intermediate which is the drug involved in proton pump inhibitors to block the production of stomach acid. It is used in the manufacture vitamin D3.