1-溴-3-苯丙烷 | 637-59-2
中文名称:
1-溴-3-苯丙烷
英文名称:
(3-Bromopropyl)benzene
CAS No.:
637-59-2
分子式:
C9 H1 1 Br
分子量:
199.08764
名称和标识符
MDL
MFCD00000257
InChIKey
XMZQWZJMTBCUFT-UHFFFAOYSA-N
Inchi
1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
SMILES
C1=CC=C(C=C1)CCCBr
BRN
2205527
别名信息
- 中文别名 -
1-溴-3-苯丙烷
3-苯丙基溴
(3-溴丙基)苯
1-溴-3-苯基丙烷
3-Phenylpropyl Bromide 3-苯丙基溴
3-苯基溴化丙酯
(3-溴丙基)苯,3-苯丙基溴
3-苯基溴丙烷
3-溴丙基苯
- 英文别名 -
(3-Bromopropyl)benzene
(3-Bromopropyl)benzene~3-Phenylpropyl bromide
3-Phenylpropyl bromide
1-Bromo-3-phenylpropane
(3-Bromoprop-1-yl)benzene
3-bromopropylbenzene
: 1-Bromo-3-phenylpropane
Hydrocinnamyl bromide
(3-bromopropyl) benzene
FT-0604700
3-phenyl-1-propylbromide
SCHEMBL81831
3-bromo-propyl-benzene
A834512
1-(bromo-propyl)-benzene
6VX623QN9V
3-bromanylpropylbenzene
1-bromo -3-phenyl propane
MFCD00000257
F0001-1731
(gamma-Bromopropyl)benzene
CHEMBL4203225
(3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide
1-bromo-3-phenyl-propane
1-brom-3-phenylpropane
3-(phenyl)propylbromide
AKOS000120756
NSC133438
phenylpropylbromide
DTXSID1060924
EN300-20957
W-109586
(.gamma.-Bromopropyl)benzene
3-phenylbromopropane
EINECS 211-294-7
EC 211-294-7
Q27265606
1-bromo-3 phenylpropane
1bromo-3-phenylpropane
(3-bromo-propyl)-benzene
3-phenylpropylbromine
NSC 133438
1-Bromo-3-phenylpropane, 98%
SY046253
637-59-2
3-phenylpropylbromide
NS00001015
D78162
3-BROMOPROPYL-BENZENE (1-PHENYL,3-BROMOPROPANE)
CS-0015315
.GAMMA.-BROMOPROPYL)BENZENE
.gamma.-Phenylpropyl bromide
1-(3-bromopropyl)benzene
3-Phenyl-1-bromopropane
4-bromopropylbenzene
1-BROMO-3-PHENYLPROPANE
(3-bromopropyl)-benzene
STR03824
l-bromo-3-phenylpropane
NSC-133438
1-Phenyl-3-bromopropane
1-BROMO-3-PHENYL PROPANE
BP-30042
Benzene, bromopropyl-
3-phenyl-propyl bromide
3-phenyl propylbromide
3-Bromo-1-phenylpropane
InChI=1/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H
Benzene, (3-bromopropyl)-
UNII-6VX623QN9V
B1237
物化性质
实验特性
LogP
3.01410
PSA
0.00000
折射率
n20/D 1.546(lit.)
水溶性
不溶
沸点
129°C/29mmHg(lit.)
熔点
-10°C (estimate)
闪点
华氏:215.6 °F 摄氏:102 °C
颜色与性状
无色液体。
溶解性
未确定。
密度
1.31 g/mL at 25 °C(lit.)
计算特性
精确分子量
198.00400
氢键供体数量
0
氢键受体数量
0
可旋转化学键数量
3
同位素质量
198.004
重原子数量
10
复杂度
74.8
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)
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
0A^2
海关数据
海关编码
29036990
海关数据
中国海关编码:
2903999090
概述:
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
相关文献
1.
Diols and anions can control the formation of an exciplex between a pyridinium boronic acid with an aryl group connected via a propylene linker
Yan-Jun Huang,Yun-Bao Jiang,Steven D. Bull,John S. Fossey,Tony D. James Chem. Commun. 2010 46 8180
2.
Nickel-catalyzed cross-coupling of unactivated alkyl halides using bis(pinacolato)diboron as reductant
Hailiang Xu,Chenglong Zhao,Qun Qian,Wei Deng,Hegui Gong Chem. Sci. 2013 4 4022
3.
Efficient preparation of unsymmetrical alkyl–aryl tellurides via a nickel-catalyzed reductive coupling strategy
Fei Wang,Ying Chen,Lutz Ackermann,Shun-Yi Wang Org. Chem. Front. 2022 9 3199
4.
Pyrene-anchored boronic acid receptors on carbon nanoparticle supports: fluxionality and pore effects
Katherine Lawrence,Tomoki Nishimura,Peter Haffenden,John M. Mitchels,Kazuo Sakurai,John S. Fossey,Steven D. Bull,Tony D. James,Frank Marken New J. Chem. 2013 37 1883
5.
Nickel-catalyzed reductive coupling of arylcarboxylic acid 2-pyridyl esters with alkyl methanesulfonates: access to alkyl aryl ketones
Hang Yu,Zhong-Xia Wang Org. Biomol. Chem. 2023 21 3423
6.
Mild olefin formation via bio-inspired vitamin B12 photocatalysis
Radha Bam,Alexandros S. Pollatos,Austin J. Moser,Julian G. West Chem. Sci. 2021 12 1736
7.
NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl–alkyl cross-coupling
Valerie E. Fleischauer,Salvador B. Mu?oz III,Peter G. N. Neate,William W. Brennessel,Michael L. Neidig Chem. Sci. 2018 9 1878
8.
Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines
Robert E. Gawley,Daniel B. Eddings,Marcelina Santiago,Davic A. Vicic Org. Biomol. Chem. 2006 4 4285
9.
Pyridinium boronic acid salts in crystal synthesis
Hulya Kara,Christopher J. Adams,A. Guy Orpen,Thomas J. Podesta New J. Chem. 2006 30 1461
10.
Kinetics and mechanism of the quaternization of poly(4-vinyl pyridine) with alkyl and arylalkyl bromides in sulpholane
Ernest A. Boucher,Christopher C. Mollett J. Chem. Soc. Faraday Trans. 1 1982 78 75
参考资料
Reaxys RN
2205527
Beilstein
5,391
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