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HCID 3725513作成日：2026年10月26日

4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine

4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine · Morpholine, 4-[(4-isothiocyanatophenyl)sulfonyl]-

https://huagongshe.com/ja/chemical/3725513

4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine の分子構造式

識別子と物理属性

CAS No.100060-98-8
分子式C11H12N2O3S2
平均分子量284.4 g/mol
単同位体質量284.0289346 g/mol
SMILESO=S(=O)(c1ccc(N=C=S)cc1)N1CCOCC1
InChIKeyUXOOJOCKROBTEH-UHFFFAOYSA-N
PubChem CID3725513
EC No.155-831-2

化学・物理的性質

XLogP2.1
極性表面積99.4
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
沸点464.6±55.0 °C(Predicted)
密度1.39±0.1 g/cm3(Predicted)
pKa（酸解離定数）-8.02±0.20(Predicted)

安全性と法規制

GHS 分類DangerH302 (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 exposureRespiratory 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%)
税関コード2934999090
4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine｜化工社