间氯三氟甲苯 | 98-15-7
间氯三氟甲苯
3-Chlorobenzotrifluoride
98-15-7
C7H4CLF3
180.56
管制类
名称和标识符
MDL |
MFCD00000594 |
InChIKey |
YTCGOUNVIAWCMG-UHFFFAOYSA-N |
Inchi |
1S/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H |
SMILES |
C1=CC(=CC(=C1)Cl)C(F)(F)F |
BRN |
510215 |
别名信息
- 中文别名 -
- 间氯三氟甲苯
- 3-氯三氟甲苯
- 3-Chloro-alpha,alpha,alpha-trifluorotoluene,certified 标准品
- 3-氯三氟甲基苯
- 1-氯-3-(三氟甲基)苯
- 3-氯-α,α,α-三氟甲苯
- 3-氯三氟甲苯 危险品
- 3-氯三氟甲苯,98%
- 3-(三氟甲基)-1-氯苯
- 间氯苄川三氟
- 间氯三氟甲基苯
- 英文别名 -
- 3-chloro-α,α,α-trifluorotoluene
- 3-Chlorobenzotrifluoride
- 3-Chloro-alpha,alpha,alpha-trifluorotoluene
- M-Chlorobenzotrifluoride
- m-chlorotrifluorotoluene
- 1-Chloro-3-(trifluoromethyl)benzene
- 3-Chlorbenzotrifluorid
- 3-Chlorbenzotrifluoride
- 3-Chlorobenzotrifluo
- 3-CHLOROTRIFLUOROTOLUENE
- 3-trifluoromethyl-chlorobenzene
- Benzotrifluoride,3-chloro
- chlorobenzotrifluorides
- m-ChlorBenzotrifluoride
- m-chlorobenzotriflouride
- m-chlorotrifluoromethylbenzene
- meta-(trifluoromethyl)chlorobenzene
- 1-(trifluoromethyl)-3-chlorobenzene
- m-Chloro-(a,a,a-)benzotrifluoride
- m-Chloro-alpha,alpha,alpha-trifluorotoluene
- meta(Trifluoromethyl)chlorobenzene
- m-Trifluoromethylphenyl chloride
- m-Trifluoromethylphenylchloride
- Toluene, m-chloro-alpha,alpha,alpha-trifluoro-
- 3-Chloro-α,α,α-trifluorotoluene
- 3-Trifluoromethyl-chlorobenzene
- Tox21_200385
- 1-chloro-3-trifluoromethylbenzene
- 3-trifluoromethylphenyl chloride
- Benzene, 1-chloro-3-(trifluoromethyl)-
- NCGC00091654-02
- W-100092
- InChI=1/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4
- 98-15-7
- 3-(TRIFLUOROMETHYL)CHLOROBENZENE
- NSC-10308
- 3-Chloro-.alpha.,.alpha.-trifluorotoluene
- FT-0615471
- CCRIS 2810
- EINECS 202-642-9
- M-CHLOROBENZOTRIFLUORIDE
- VS44Q3D3NR
- 3-Chloro-benzotrifluoride
- CAS-98-15-7
- EN300-21413
- AI3-52623
- m-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
- m-(Trifluoromethyl)phenyl chloride
- m-Chloro-.alpha.,.alpha.-trifluorotoluene
- AKOS000120657
- CHEMBL1875215
- 3-chlorotrifluoromethylbenzene
- MFCD00000594
- AS-12412
- m-(Trifluoromethyl)chlorobenzene
- 3-chlorbenzotrifluorid
- DTXCID104773
- Toluene, m-chloro-.alpha.,.alpha.,.alpha.-trifluoro-
- NSC10308
- SCHEMBL592796
- m-chloro(trifluoromethyl)benzene
- 3-chloro(trifluoromethyl)benzene
- Meta(trifluoromethyl)chlorobenzene
- UNII-VS44Q3D3NR
- 3-Trifluoromethyl-1-chlorobenzene
- NCGC00091654-01
- AMY5193
- 3-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
- NCGC00257939-01
- DTXSID4024773
- Chlorobenzotrifluoride, m-
- NS00041036
- 3-Chlorobenzotrifluoride, 97%
- UN 2234
- NSC 10308
物化性质
实验特性
LogP |
3.35880 |
PSA |
0.00000 |
折射率 |
n20/D 1.446(lit.) |
水溶性 |
<0.1 g/100 mL at 22 ºC |
沸点 |
139°C |
熔点 |
−56 °C (lit.) |
闪点 |
华氏:96.8 °F 摄氏:36 °C
|
颜色与性状 |
无色透明液体,有芳香气味。 |
溶解性 |
溶于部分有机溶剂。 |
密度 |
1.331 g/mL at 25 °C |
计算特性
精确分子量 |
179.99500 |
氢键供体数量 |
0 |
氢键受体数量 |
0 |
可旋转化学键数量 |
1 |
同位素质量 |
179.995362 |
重原子数量 |
11 |
复杂度 |
132 |
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 |
0 |
海关数据
海关编码 |
2903999090 |
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.
Reaction mechanisms: polar reactions
Hon Man Yau,Anna K. Croft Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 2012 108 272
-
2.
Reaction mechanisms: polar reactions
Hon Man Yau,Anna K. Croft Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 2012 108 272
-
3.
Energy- and conformer-dependent excited-state relaxation of an E/Z photoswitchable thienyl-ethene
Jamie D. Young,Chana R. Honick,Jiawang Zhou,Cody R. Pitts,Fereshte Ghorbani,Garvin M. Peters,Thomas Lectka,John D. Tovar,Arthur E. Bragg Phys. Chem. Chem. Phys. 2019 21 14440
-
4.
A photocatalyzed aliphatic fluorination
Steven Bloom,James Levi Knippel,Thomas Lectka Chem. Sci. 2014 5 1175
-
5.
Nickel-catalyzed arylation of heteroaryl-containing diarylmethanes: exceptional reactivity of the Ni(NIXANTPHOS)-based catalyst
Xinyu Cao,Sheng-Chun Sha,Minyan Li,Byeong-Seon Kim,Catherine Morgan,Rudan Huang,Xiaodong Yang,Patrick J. Walsh Chem. Sci. 2016 7 611
-
6.
Half a grid is better than no grid: competition between 2,2′:6′,2′′-terpyridine and 3,6-di(pyrid-2-yl)pyridazine for copper(ii)
Edwin C. Constable,Silvio Decurtins,Catherine E. Housecroft,Tony D. Keene,Cornelia G. Palivan,Jason R. Price,Jennifer A. Zampese Dalton Trans. 2010 39 2337
-
7.
Half a grid is better than no grid: competition between 2,2′:6′,2′′-terpyridine and 3,6-di(pyrid-2-yl)pyridazine for copper(ii)
Edwin C. Constable,Silvio Decurtins,Catherine E. Housecroft,Tony D. Keene,Cornelia G. Palivan,Jason R. Price,Jennifer A. Zampese Dalton Trans. 2010 39 2337
-
8.
Formation of paramagnetic metallacyclobutadienes by reaction of diaminoacetylenes with molybdenum alkylidyne complexes
òscar àrias,Kai Brandhorst,Dirk Baabe,Matthias Freytag,Peter G. Jones,Matthias Tamm Dalton Trans. 2017 46 4737
-
9.
Unprecedented iminobenzosemiquinone and iminobenzoquinone coordinated mononuclear Cu(ii) complex formation under air
Manas Kumar Mondal,Abul Kalam Biswas,Bishwajit Ganguly,Chandan Mukherjee Dalton Trans. 2015 44 9375
-
10.
348. The preparation of benziminazoles and benzoxazoles from Schiff's bases. Part II
F. F. Stephens,J. D. Bower J. Chem. Soc. 1950 1722
参考资料
Reaxys RN |
510215 |
Beilstein |
5(3)692 |
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