Cas no 875664-34-9 (Benzeneacetonitrile,2-bromo-5-(1,1-dimethylethyl)-)
875664-34-9 structure
Product Name:Benzeneacetonitrile,2-bromo-5-(1,1-dimethylethyl)-
CAS No:875664-34-9
MF:C12H14BrN
MW:252.150262355804
CID:709820
Update Time:2024-01-31
Benzeneacetonitrile,2-bromo-5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,2-bromo-5-(1,1-dimethylethyl)-
- 2-BROMO-5-(TRIFLUOROMETHYL)PHENYLACETONITRILE
- Benzeneacetonitrile, 2-bromo-5-(1,1-dimethylethyl)-
-
- Inchi： 1S/C12H14BrN/c1-12(2,3)10-4-5-11(13)9(8-10)6-7-14/h4-5,8H,6H2,1-3H3
- InChI Key： VAKMPTKKIPUSHX-UHFFFAOYSA-N
- SMILES： C1(CC#N)=CC(C(C)(C)C)=CC=C1Br
Computed Properties
- Exact Mass: 278.95100
- Monoisotopic Mass: 262.955746
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.8
Experimental Properties
- Density: 1.270±0.06 g/cm3(Predicted)
- Melting Point: 60-62°C
- Boiling Point: 144-146°C 15mm
- Flash Point: 144-146°C/15mm
- PSA: 33.02000
- LogP: 3.41378
Benzeneacetonitrile,2-bromo-5-(1,1-dimethylethyl)- Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzeneacetonitrile,2-bromo-5-(1,1-dimethylethyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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