3,4-Difluorobenzenesulfonamide 分子结构式
HCID822865

3,4-Difluorobenzenesulfonamide

C6H5F2NO2S193.17 g/molCAS 108966-71-8

IDENTITY

结构与身份

标准SMILES
NS(=O)(=O)c1ccc(F)c(F)c1
InChIKey
VFVVRYNJTGHAIE-UHFFFAOYSA-N
分子式
C6H5F2NO2S
平均分子量
193.17 g/mol
单同位素质量
193.0009059

COMPUTED

结构计算性质

已同步
XLogP
0.9
极性表面积
68.5 Ų
氢键供体
1
氢键受体
5
可旋转键
1
重原子
12
形式电荷
0
复杂度
249

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 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 (50%);Skin Corr. 1B (25%);Skin Irrit. 2 (75%);Eye Irrit. 2 (75%);STOT SE 3 (50%)

ALIASES

名称与别名

共 28 条
3,4-Difluorobenzenesulfonamide108966-71-8DTXSID90356386RefChem:270927DTXCID00307445670-810-23,4-difluorobenzene-1-sulfonamideMFCD007288003,4-Difluoro-benzenesulfonamide3,4-DifluorobenzenesulphonamideBenzenesulfonamide, 3,4-difluoro-SCHEMBL301718SCHEMBL1465048VFVVRYNJTGHAIE-UHFFFAOYSA-NSBB0915573,4-Difluorobenzenesulfonamide, 97%AKOS000138905CS-W010690PS-8316SY023519

REACTIONS

参与反应

9
HRID 32657 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427612B2

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HRID 719486 反应方程式

uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07132426B2

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HRID 736124 反应方程式

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595314B2

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HRID 806686 反应方程式

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

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HRID 891112 反应方程式

uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US07001917B2

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HRID 1214687 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID 1864131 反应方程式

uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07625906B2

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HRID 1958403 反应方程式

uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08410119B2

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