HCID2758360

2,4-Difluorothioanisole

2,4-difluoro-1-methylsulfanylbenzene

C7H6F2S160.19 g/molCAS 130922-40-6

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IDENTITY

结构与身份

标准 SMILES: CSc1ccc(F)cc1F
InChIKey: JJNSBHOSUJNKBJ-UHFFFAOYSA-N
分子式: C7H6F2S
平均分子量: 160.19 g/mol
单同位素质量: 160.01582769

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 25.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 108

GHS

GHS 分类

来源：PubChem

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 20 条

130922-40-62,4-Difluorothioanisole2,4-Difluoro-1-(methylsulfanyl)benzene(2,4-difluorophenyl)(methyl)sulfaneBENZENE, 2,4-DIFLUORO-1-(METHYLTHIO)-2,4-difluoro-1-methylsulfanylbenzene2,4-Difluoro-1-methylsulfanyl-benzeneBenzene, 2,4-difluoro-1-(methylthio)- (9CI)MFCD037891732,4-Difluoro thioanisoleSCHEMBL319042SCHEMBL29722916DTXSID80374296JJNSBHOSUJNKBJ-UHFFFAOYSA-NAKOS006243266FS-4350DB-273918CS-0194942E89706F019352

REACTIONS

参与反应

1 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID1135069

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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