1-フェニル-2-ピラジン-2-イルエタノン

1-Phenyl-2-pyrazin-2-yl ethanone

HCID 520977CAS 40061-45-8
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(Cc1cnccn1)c1ccccc1
InChIKey
WUYTZBFFXRNJSB-UHFFFAOYSA-N
分子式
C12H10N2O
平均分子量
198.22 g/mol
単同位体質量
198.07931295

名称と識別子

優先名称
1-Phenyl-2-pyrazin-2-yl ethanone
IUPAC
1-phenyl-2-pyrazin-2-ylethanone
現地名
1-フェニル-2-ピラジン-2-イルエタノン
英語名
1-Phenyl-2-pyrazin-2-ylethanone
分子式
C12H10N2O
分子量
198.22

名称と別名

1-Phenyl-2-pyrazin-2-yl ethanoneRefChem:435583674-347-71-phenyl-2-pyrazin-2-ylethanone40061-45-81-phenyl-2-(pyrazin-2-yl)ethanone1-phenyl-2-(pyrazin-2-yl)ethan-1-oneMFCD040379061-phenyl-2-pyrazin-2-ylethan-1-onephenacylpyrazinePhenacyl pyrazine1-phenyl-2-pyrazin-2-yl-ethanone
名称をさらに表示
1-フェニル-2-ピラジン-2-イルエタノンEthanone, 1-phenyl-2-(2-pyrazinyl)-1-Phenyl-2-(pyrazin-2-yl)ethan-1-one 95+%2-(Benzoylmethyl)-1,4-diazine, 2-Phenacylpyrazine
SCHEMBL1515801DTXSID00334514WUYTZBFFXRNJSB-UHFFFAOYSA-NSBB092299AKOS009157461PS-6001CS-0327449ST51042173

データベース識別子

CAS
40061-45-8
PubChem CID
520977
DTXSID
DTXSID00334514
EC Number
674-347-7
Nikkaji
J620.974B

物性

構造計算による物性

XLogP
1.1
極性表面積
42.9 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
15

物理化学的性質

融点
82 · 82.0-83.0 °C
沸点
343.4 · 343.4±27.0 °C(Predicted)
比重(密度)
1.179 · 1.179±0.06 g/cm3(Predicted)
酸解離定数(Pka)
0.51 · 0.51±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): 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+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 2 reports by companies from 2 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 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

安全データ

hs_code
2933998090

化学と産業

上流・下流製品情報

サプライヤー8 社

武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

関連反応

6 件
反応記録を作成

関連ノート

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