3-溴丙基苯基醚 | 588-63-6
中文名称:
3-溴丙基苯基醚
英文名称:
3-bromopropoxybenzene
CAS No.:
588-63-6
分子式:
C9 H1 1 BrO
分子量:
215.0870
名称和标识符
MDL
MFCD00000256
InChIKey
NIDWUZTTXGJFNN-UHFFFAOYSA-N
Inchi
1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
SMILES
BrC([H])([H])C([H])([H])C([H])([H])OC1C([H])=C([H])C([H])=C([H])C=1[H]
BRN
508978
别名信息
- 中文别名 -
3-溴丙基苯基醚
3-苯氧基溴丙烷
1-溴-3-苯氧基丙烷
3-溴丙氧基苯
(3-溴丙氧基)苯
3-Phenoxypropyl Bromide 3-苯氧基溴丙烷
3-苯氧基丙基溴
- 英文别名 -
(3-Bromopropoxy)benzene
3-Bromopropyl phenyl ether
Benzene, (3-bromopropoxy)-
3-Phenoxypropyl Bromide
3-bromopropoxybenzene
1-Bromo-3-phenoxypropane
Ether, 3-bromopropyl phenyl
gamma-Phenoxypropyl bromide
phenoxypropyl bromide
3-bromo-1-phenoxypropane
.gamma.-Phenoxypropyl bromide
PHENYL 3-BROMOPROPYL ETHER
NIDWUZTTXGJFNN-UHFFFAOYSA-N
3-Phenoxypropylbromide
phenoxypropylbromide
p-bromopropoxybenzene
3-phenoxybromopropane
PubChem
3-Bromopropyl Phenyl Ether
AC-20351
EINECS 209-623-4
3-phenoxy propyl bromide
AM20060682
InChI=1/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
SY020995
Z90122132
3-phenoxy propylbromide
CS-0030579
3-Phenoxylpropyl Bromide
588-63-6
3-bromopropoxy benzene
3-bromopropylphenyl-ether
NSC2641
3-bromopropylphenyl ether
2-(Bromomethyl)ethoxybenzene
NS00034028
Q-200391
3-phenoxy-1-bromopropane
(3-bromo-propoxy)-benzene
SCHEMBL71797
NIDWUZTTXGJFNN-UHFFFAOYSA-
MFCD00000256
3-Phenoxypropyl bromide
bromo-3-phenoxypropane
E6NVH6VQ3D
(4-Methoxybenzyloxy)aceticacid
F0001-1537
1-(3-bromopropoxy)benzene
3-phenoxy-propylbromide
3-Phenoxypropyl bromide, 96%
NSC-2641
AI3-11213
EN300-18740
FT-0608537
FT-0607489
HY-W019627
AS-17267
3-phenoxy-propyl bromide
AKOS000345429
P1027
NSC 2641
3-(phenoxy)propyl bromide
DTXSID1060425
物化性质
实验特性
LogP
2.85040
PSA
9.23000
折射率
n20/D 1.546(lit.)
沸点
138°C/15mmHg
熔点
10-11 °C (lit.)
闪点
华氏:204.8 °F 摄氏:96 °C
颜色与性状
透明 淡 棕色
密度
1.365 g/mL at 25 °C(lit.)
计算特性
精确分子量
213.99900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
4
同位素质量
213.999
重原子数量
11
复杂度
89.6
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
3.4
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
9.2
海关数据
海关编码
2909309090
海关数据
中国海关编码:
2909309090
概述:
2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
相关文献
1.
End-quenching of tert-chloride-terminated polyisobutylene with alkoxybenzenes: comparison of AlCl3 and TiCl4 catalysts
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Iron- and zinc-mediated reductive coupling of styrenes and alkyl bromides: mechanistic investigation using DFT calculations
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3.
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4.
Ligand-assisted nickel-catalysed sp3–sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes
Stephen M. Goldup,David A. Leigh,Roy T. McBurney,Paul R. McGonigal,Andrew Plant Chem. Sci. 2010 1 383
5.
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6.
Deprotonation of hydrazinium dications in the diazoniapropellane series to form bridgehead iminium ions; external and intramolecular trapping
Roger W. Alder,Richard B. Sessions,John O. Gmünder,Cyril A. Grob J. Chem. Soc. Perkin Trans. 2 1984 411
7.
Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex
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9.
A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state
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10.
Quasiliving carbocationic polymerization of isobutylene using FeCl3 as an efficient and water-tolerant Lewis acid: synthesis of well-defined telechelic polyisobutylenes
Mikalai Bohdan,Dmitriy I. Shiman,Pavel A. Nikishau,Irina V. Vasilenko,Sergei V. Kostjuk Polym. Chem. 2022 13 6010
参考资料
Reaxys RN
508978
Beilstein
6,142
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