Cas no 914201-22-2 (4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid)
914201-22-2 structure
Product Name:4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CAS No:914201-22-2
MF:C9H9F3N2O2
MW:234.175172567368
CID:874167
PubChem ID:22831561
Update Time:2025-04-19
4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
- 4-ISOPROPYL-2-TRIFLUOROMETHYL PYRIMIDINE-5-CARBOXYLIC ACID
- 4-Isopropyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
- 4-propan-2-yl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
- 4-Isopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
- 4-Isopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylicacid
- AKOS025395257
- 914201-22-2
- DTXSID70628477
- 4-ISOPROPYL-2-TRIFLUOROMETHYLPYRIMIDINE-5-CARBOXYLICACID
- 4-(Propan-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
-
- MDL： MFCD08689834
- Inchi： 1S/C9H9F3N2O2/c1-4(2)6-5(7(15)16)3-13-8(14-6)9(10,11)12/h3-4H,1-2H3,(H,15,16)
- InChI Key： GAKSCPNNFHCXNW-UHFFFAOYSA-N
- SMILES： FC(C1=NC=C(C(=O)O)C(C(C)C)=N1)(F)F
Computed Properties
- Exact Mass: 234.06200
- Monoisotopic Mass: 234.06161202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 268
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- Density: 1.361
- Boiling Point: 254.4°C at 760 mmHg
- Flash Point: 107.6°C
- Refractive Index: 1.476
- PSA: 63.08000
- LogP: 2.31700
4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid Customs Data
- HS CODE：2933599090
- Customs Data：
China Customs Code:
2933599090Overview:
2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-(1-methylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid Related Literature
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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