HCID588081

2,4-Difluorobenzoyl chloride

C7H3ClF2O176.55 g/molCAS 72482-64-5

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IDENTITY

结构与身份

标准SMILES: O=C(Cl)c1ccc(F)cc1F
InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N
分子式: C7H3ClF2O
平均分子量: 176.55 g/mol
单同位素质量: 175.9840487

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 163

GHS

GHS分类

GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (39%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 77 reports by companies from 8 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

Hazard Classes and Categories

Skin Corr. 1B (100%)；Eye Dam. 1 (39%)；STOT SE 3 (90.9%)

ALIASES

名称与别名

共 37 条

2,4-Difluorobenzoyl chloride72482-64-5Benzoyl chloride, 2,4-difluoro-2,4-difluorobenzoic acid chloride77DL5FRC0ZEINECS 276-690-4JSWRVDNTKPAJLB-UHFFFAOYSA-DTXSID302227782,4-DIFLUOROBENZOYL CHLORIDE ACID CHLORIDERefChem:82425DTXCID60145269276-690-4InChI=1/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3HJSWRVDNTKPAJLB-UHFFFAOYSA-N2,4-difluorobenzoylchlorideMFCD000006582,4difluorobenzoylchlorideUNII-77DL5FRC0Z2,4-difluorobezoyl chloride2,4 difluorobenzoyl chloride

REACTIONS

相关反应

167 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713471B1

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846670B2

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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 (2/10) · 10.1039/C8SC04228D

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

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

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

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

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