3-甲基二苯醚 | 3586-14-9
中文名称:
3-甲基二苯醚
英文名称:
m-Phenoxytoluene
CAS No.:
3586-14-9
分子式:
C1 3 H1 2 O
分子量:
184.23378
名称和标识符
MDL
MFCD00008531
InChIKey
UDONPJKEOAWFGI-UHFFFAOYSA-N
Inchi
1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
SMILES
CC1=CC(=CC=C1)OC2=CC=CC=C2
BRN
2045714
别名信息
- 中文别名 -
3-甲基二苯醚
间甲基二苯醚
间苯氧基甲苯
3-苯氧基甲苯
1-甲基-3-苯氧基苯
3-Phenoxytoluene,certified 标准品
氯菊酯杂质A
间甲二苯醚
氯菊酯杂质 标准品
间甲苯基苯醚
- 英文别名 -
1-Methyl-3-phenoxybenzene
Phenyl m-tolyl ether
3-Methyldiphenyl ether
3-Phenoxytoluene
m-Phenoxytoluene
3-methylphenyl phenyl ether
BENZENE,1-METHYL-3-PHENOXY
Ether,phenyl m-tolyl
meta-phenoxy-toluene
m-Methylphenyl phenyl ether
m-Tolyl Phenyl Ether
3-Methyl diphenyl ether
3-Methyldiphenyl Ether
1-methyl-3-phenoxybenzene
Q27255873
Ether, phenyl m-tolyl
2ZZI1Z67WR
EN300-19424
P0831
BCP31633
NCGC00248887-01
EINECS 222-716-4
Z104473802
PHENOXYTOLUENE, 3-
Permethrin Impurity A
DTXSID8027537
Tox21_200958
FT-0629004
3-Phenoxytoluene, >=98.0% (GC)
SY049136
Meta-phenoxytoluene
NS00022096
AS-12310
UNII-2ZZI1Z67WR
A823008
BRN 2045714
3-Methylphenyl phenyl ether
1-methyl-3-phenoxy-benzene
4-06-00-02041 (Beilstein Handbook Reference)
CAS-3586-14-9
SCHEMBL441890
3-Phenoxytoluene
1-Methyl-3-phenoxybenzene
3-Methyldiphenyl ether
MFCD00008531
Ether, phenyl m-tolyl-
CS-0153214
3586-14-9
AKOS009031637
W-106651
BENZENE, 1-METHYL-3-PHENOXY-
NCGC00258511-01
CHEMBL3188057
Phenyl 3-tolyl ether
AC-10368
DTXCID407537
物化性质
实验特性
LogP
3.78730
PSA
9.23000
折射率
n20/D 1.573(lit.) n20/D 1.573
沸点
272°C
熔点
160 ºC
闪点
华氏:235.4 °F 摄氏:113 °C
溶解度
几乎不溶 (0.015 g/L) (25 ºC),
颜色与性状
无色液体
溶解性
不溶于水,溶于苯、甲苯、丙酮等有机溶剂。
密度
1.051 g/mL at 25 °C(lit.)
计算特性
精确分子量
184.08900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
2
同位素质量
184.088815002g/mol
重原子数量
14
复杂度
161
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
9.2Ų
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.
16. Substitution in the methyl-4′-nitro- and -4′-acetamido-diphenyl ethers
Harold A. Scarborough,John L. Sweeten J. Chem. Soc. 1934 52
2.
Electrocatalytic cleavage of lignin model dimers using ruthenium supported on activated carbon cloth
Mahlet Garedew,Daniel Young-Farhat,Souful Bhatia,Pengchao Hao,James E. Jackson,Christopher M. Saffron Sustainable Energy Fuels 2020 4 1340
3.
Eco-friendly preparation of ultrathin biomass-derived Ni3S2-doped carbon nanosheets for selective hydrogenolysis of lignin model compounds in the absence of hydrogen
Changzhou Chen,Dichao Wu,Peng Liu,Jing Li,Haihong Xia,Minghao Zhou,Jianchun Jiang Green Chem. 2021 23 3090
4.
Formula index
J. Chem. Soc. 1934 2056
5.
859. Xanthones: cyclisation of 3′-substituted 2-carboxydiphenyl ethers
A. A. Goldberg,A. H. Wragg J. Chem. Soc. 1958 4227
6.
Green synthesis of copper nanoparticles using aqueous extract of the leaves of Euphorbia esula L and their catalytic activity for ligand-free Ullmann-coupling reaction and reduction of 4-nitrophenol
Mahmoud Nasrollahzadeh,S. Mohammad Sajadi,Mehdi Khalaj RSC Adv. 2014 4 47313
7.
Ru/hydroxyapatite as a dual-functional catalyst for efficient transfer hydrogenolytic cleavage of aromatic ether bonds without additional bases
Manli Hua,Jinliang Song,Chao Xie,Haoran Wu,Yue Hu,Xin Huang,Buxing Han Green Chem. 2019 21 5073
8.
Electrochemical upgrading of depolymerized lignin: a review of model compound studies
Mahlet Garedew,Chun Ho Lam,Laurene Petitjean,Shuquan Huang,Bing Song,Fang Lin,James E. Jackson,Christopher M. Saffron,Paul T. Anastas Green Chem. 2021 23 2868
9.
Base promoted highly efficient copper fluorapatite catalyzed coupling of phenols with arylboronic acids under mild and ligand-free conditions
Shafeek A. R. Mulla,Suleman M. Inamdar,Mohsinkhan Y. Pathan,Santosh S. Chavan RSC Adv. 2012 2 12818
10.
Biosynthesis of the fungal xanthone ravenelin
Arthur J. Birch,John Baldas,Joseph R. Hlubucek,Thomas J. Simpson,Philip W. Westerman J. Chem. Soc. Perkin Trans. 1 1976 898
参考资料
Reaxys RN
2045714
Beilstein
6,377
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