Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- COc1cc(S(=O)(=O)Cl)cc(OC)c1OC
- InChIKey
- MQSMMBMVEDEDQR-UHFFFAOYSA-N
- 分子式
- C9H11ClO5S
- 平均分子量
- 266.7 g/mol
- 单同位素质量
- 266.0015723
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 70.2 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 298
GHS
GHS分类
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
3,4,5-Trimethoxybenzene-1-sulfonyl chloride39614-62-53,4,5-Trimethoxybenzenesulfonyl chlorideMFCD05664176C9H11ClO5SBenzenesulfonyl chloride, 3,4,5-trimethoxy-SCHEMBL2368094MQSMMBMVEDEDQR-UHFFFAOYSA-NPBA61462AKOS027325277AT126583,4,5-trimethoxybenzenesulfonylchlorideBS-16704345-Trimethoxybenzene-1-sulfonyl chloride3,4,5-Trimethoxybenzene-1-sulfonylchlorideCS-0089124D74831EN300-1988207
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211167B1
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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211167B1
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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924304B2
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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924304B2
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uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06191170B1
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