基本情報
- CAS
100060-98-8- 標準SMILES
O=S(=O)(c1ccc(N=C=S)cc1)N1CCOCC1- InChIKey
UXOOJOCKROBTEH-UHFFFAOYSA-N- 分子式
- C11H12N2O3S2
- 平均分子量
- 284.4 g/mol
- 単同位体質量
- 284.0289346
名称と識別子
- 優先名称
- 4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine
- IUPAC
- 4-(4-isothiocyanatophenyl)sulfonylmorpholine
- 英語名
- 4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine
- 分子式
- C11H12N2O3S2
- 分子量
- 284.35
名称と別名
4-[(4-isothiocyanatophenyl)sulfonyl]morpholine100060-98-84-(4-isothiocyanatobenzenesulfonyl)morpholine4-(4-isothiocyanatophenyl)sulfonylmorpholineMFCD031473284-[(4-Isothiocyanatobenzene)sulphonyl]morpholineOprea1_320644SCHEMBL1805850UXOOJOCKROBTEH-UHFFFAOYSA-NHMS1722K08ALBB-003109BBL017972
名称をさらに表示
Morpholine, 4-[(4-isothiocyanatophenyl)sulfonyl]-
STK502603AKOS000122276VS-066264-(morpholinosulfonyl)phenyl isothiocyanateEN300-01234G22566SR-01000037791SR-01000037791-1
データベース識別子
- CAS
100060-98-8- PubChem CID
- 3725513
- EC Number
- 155-831-2
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 99.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 412
物理化学的性質
- 沸点
- 464.6 · 464.6±55.0 °C(Predicted)
- 比重(密度)
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- -8.02 · -8.02±0.20(Predicted)
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)
安全データ
- hs_code
- 2934999090
化学と産業
サプライヤー2 社
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
関連反応
1 件
化合物ノート
読み込み中…