反应SMILES:COc1cc(S(=O)(=O)Cl)ccc1F
HCID2783408

4-Fluoro-3-methoxybenzenesulfonyl chloride

C7H6ClFO3S224.64 g/molCAS 887266-97-9

IDENTITY

结构与身份

标准SMILES
COc1cc(S(=O)(=O)Cl)ccc1F
InChIKey
AJHUCNUEJYHKMR-UHFFFAOYSA-N
分子式
C7H6ClFO3S
平均分子量
224.64 g/mol
单同位素质量
223.9710211

COMPUTED

结构计算性质

已同步
XLogP
2
极性表面积
51.8 Ų
氢键供体
0
氢键受体
4
可旋转键
2
重原子
13
形式电荷
0
复杂度
261

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];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+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Corr. 1B (100%);Acute Tox. 4 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 26 条
887266-97-94-fluoro-3-methoxybenzenesulfonyl chloride4-fluoro-3-methoxybenzene-1-sulfonyl chlorideDTXSID10382642RefChem:523216DTXCID40333667861-670-54-fluoro-3-methoxybenzenesulphonyl chlorideMFCD073687084-fluoro-3-methoxy-benzenesulfonyl Chloride4-FLUORO-3-METHOXYBENZENESULPHONYL CHLORIDSCHEMBL1816396SCHEMBL29651875AJHUCNUEJYHKMR-UHFFFAOYSA-NMKB26697GS3090SBB096722AKOS006220685chloro(4-fluoro-3-methoxyphenyl)sulfonePS-10876

REACTIONS

参与反应

81
HRID126224

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 126224 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID126240

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 126240 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID136575

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID 136575 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID288625

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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HRID 288625 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID299072

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 299072 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID683327

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 683327 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID694885

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 694885 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID810768

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 810768 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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