HCID29570

1,4-Dibromo-2-butanol

1,4-dibromobutan-2-ol

C4H8Br2O231.91 g/molCAS 19398-47-1

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IDENTITY

结构与身份

标准SMILES: OC(CBr)CCBr
InChIKey: PSSRAPMBSMSACN-UHFFFAOYSA-N
分子式: C4H8Br2O
平均分子量: 231.91 g/mol
单同位素质量: 229.89419

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 3
重原子: 7
形式电荷: 0
复杂度: 40

GHS

GHS分类

GHS Classification

Warning

H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, 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

Muta. 2 (100%)

ALIASES

名称与别名

共 43 条

1,4-Dibromo-2-butanol19398-47-12-BUTANOL, 1,4-DIBROMO-EINECS 243-029-6NSC 84192BRN 17338314-01-00-01581 (Beilstein Handbook Reference)RefChem:73207PSSRAPMBSMSACN-UHFFFAOYSA-N1,4-Dibromobutan-2-olMFCD000002521 4-DIBROMO-2-HYDROXYBUTANE1,4-Dibromo-butan-2-olBR16371360729-08-3NSC841922-Butanol,4-dibromo-1,4-dibromo-2-butanoWLN: E2YQ1ESCHEMBL422142

REACTIONS

相关反应

29 条

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 (8/10) · 10.1039/C8SC04228D

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

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08080541B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08080541B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08080541B2

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