5-Bromo-2-methyl-2-pentene 分子结构式
HCID137521

5-Bromo-2-methyl-2-pentene

5-bromo-2-methylpent-2-ene

C6H11Br163.06 g/molCAS 2270-59-9

IDENTITY

结构与身份

标准SMILES
CC(C)=CCCBr
InChIKey
UNXURIHDFUQNOC-UHFFFAOYSA-N
分子式
C6H11Br
平均分子量
163.06 g/mol
单同位素质量
162.00441

COMPUTED

结构计算性质

已同步
XLogP
2.9
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
2
重原子
7
形式电荷
0
复杂度
60

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Clear light yellow liquid; [Sigma-Aldrich MSDS]

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H225 (89.1%): Highly Flammable liquid and vapor [Danger Flammable liquids];H226 (10.9%): Flammable liquid and vapor [Warning Flammable liquids];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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
Hazards Summary

A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Chloro-2-methyl-1-propene.

Hazard Classes and Categories

Flam. Liq. 2 (89.1%);Flam. Liq. 3 (10.9%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.8%)

ALIASES

名称与别名

共 21 条
5-bromo-2-methylpent-2-ene5-Bromo-2-methyl-2-pentene2270-59-9MFCD000098875-Bromo-2-methyl-pent-2-ene1-bromo-4-methyl-3-penteneNSC2444641-bromo4-methyl-3-pentene5-brom-2-methyl-2-penteneSCHEMBL230243DTXSID901772305-Bromo-2-methyl-2-pentene, 97%AKOS005258179FS-5458NSC 244464NSC-244464SY062298CS-0155165EN300-126650F19983

REACTIONS

参与反应

57
HRID 27646 反应方程式

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04222937

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HRID 47157 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699458B2

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HRID 47170 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699458B2

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HRID 95216 反应方程式

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

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HRID 96641 反应方程式

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

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HRID 108194 反应方程式

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

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HRID 141309 反应方程式

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

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HRID 144716 反应方程式

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

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