基本情報
- CAS
21213-10-5- 標準SMILES
CCCSc1ccccc1C(=O)O- InChIKey
MNTQKBRBPNZLPM-UHFFFAOYSA-N- 分子式
- C10H12O2S
- 平均分子量
- 196.27 g/mol
- 単同位体質量
- 196.05580079
名称と識別子
- 優先名称
- 2-(Propylsulfanyl)benzoic acid
- IUPAC
- 2-propylsulfanylbenzoic acid
- 現地名
- 2-(プロピルチオ)安息香酸
- 英語名
- 2-(Propylsulfanyl)benzoic acid
- 分子式
- C10H12O2S
- 分子量
- 196.27
名称と別名
2-(propylsulfanyl)benzoic acidRefChem:462061960-297-62-(propylthio)benzoic acid21213-10-52-propylsulfanylbenzoic acidbenzoic acid, 2-(propylthio)-MFCD027292292-(n-Propylthio)benzoic acidNSC1009392-propylthiobenzoic acid2-(propylthio)benzoicacid
名称をさらに表示
2-(プロピルチオ)安息香酸
S-propyl thiosalicylic acidNCIOpen2_001717SCHEMBL6779779DTXSID90295281MNTQKBRBPNZLPM-UHFFFAOYSA-NALBB-009435BBL000368STK288480
データベース識別子
- CAS
21213-10-5- PubChem CID
- 265125
- DTXSID
DTXSID90295281- EC Number
- 960-297-6
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 62.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 170
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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. 3 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
安全データ
- hs_code
- 2930909899
化学と産業
サプライヤー5 社
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
関連反応
2 件
化合物ノート
読み込み中…