基本情報
- CAS
58710-56-8- 標準SMILES
CN1N=C2c3ccccc3CCC2C1c1ccncc1- InChIKey
AVLMHEMRSUQVEX-UHFFFAOYSA-N- 分子式
- C17H17N3
- 平均分子量
- 263.34 g/mol
- 単同位体質量
- 263.14224756
名称と識別子
- 優先名称
- 2-Methyl-3-(4-pyridyl)-3,3A,4,5-tetrahydro-2H-benz(G)indazole
- IUPAC
- 2-methyl-3-pyridin-4-yl-3,3a,4,5-tetrahydrobenzo[g]indazole
- 英語名
- 2-Methyl-3-(4-pyridyl)-3,3a,4,5-tetrahydro-2H-benz(g)indazole
- 分子式
- C17H17N3
- 分子量
- 263.34
名称と別名
58710-56-82-METHYL-3-(4-PYRIDYL)-3,3A,4,5-TETRAHYDRO-2H-BENZ(G)INDAZOLERefChem:475321668-098-32-Methyl-3-(pyridin-4-yl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazoleSCHEMBL11859702AVLMHEMRSUQVEX-UHFFFAOYSA-NAKOS0243374962-methyl-3-(4-pyridyl)-3,3a,4,5-tetrahydro-2H-naphtho[1,2-c] pyrazole2H-Benz[g]indazole, 3,3a,4,5-tetrahydro-2-methyl-3-(4-pyridinyl)-
データベース識別子
- CAS
58710-56-8- PubChem CID
- 3565422
- EC Number
- 668-098-3
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 28.5 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
- 1
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 386
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315
化学と産業
サプライヤー2 社
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
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