HCID10442743

3-Bromo-2-methylbenzaldehyde

C8H7BrO199.04 g/molCAS 83647-40-9

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IDENTITY

结构与身份

标准SMILES: Cc1c(Br)cccc1C=O
InChIKey: HHVUFPUWPWOWOA-UHFFFAOYSA-N
分子式: C8H7BrO
平均分子量: 199.04 g/mol
单同位素质量: 197.96803

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 124

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, 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

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 24 条

3-BROMO-2-METHYLBENZALDEHYDE83647-40-9DTXSID80439955RefChem:277345DTXCID60390777852-126-83-bromo-2-methyl-benzaldehydeMFCD11847533Benzaldehyde, 3-bromo-2-methyl-3- BROMO-2-METHYL- BENZALDEHYDESCHEMBL146118SCHEMBL2048825SCHEMBL29621617HHVUFPUWPWOWOA-UHFFFAOYSA-NIDA64740AKOS014313014PB43520DA-17709DS-17148SY258266

REACTIONS

参与反应

19 条

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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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08084620B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08084620B2

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

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

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07138530B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07138530B2

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