Cas no 871571-27-6 (BENZONITRILE, 2-AMINO-5-METHYL-4-(TRIFLUOROMETHYL)-)
871571-27-6 structure
Product Name:BENZONITRILE, 2-AMINO-5-METHYL-4-(TRIFLUOROMETHYL)-
CAS No:871571-27-6
MF:C9H7F3N2
MW:200.160492181778
MDL:MFCD15527583
CID:3393516
PubChem ID:53416444
Update Time:2025-04-21
BENZONITRILE, 2-AMINO-5-METHYL-4-(TRIFLUOROMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZONITRILE, 2-AMINO-5-METHYL-4-(TRIFLUOROMETHYL)-
- 871571-27-6
- SCHEMBL311743
- 2-Amino-5-methyl-4-trifluoromethylbenzonitrile
- 2-Amino-5-methyl-4-trifluoromethyl-benzonitrile
- DB-134601
- 2-amino-5-methyl-4-(trifluoromethyl)benzonitrile
-
- MDL: MFCD15527583
- Inchi: 1S/C9H7F3N2/c1-5-2-6(4-13)8(14)3-7(5)9(10,11)12/h2-3H,14H2,1H3
- InChI Key: WLYUHMDUERBMBU-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C(C#N)=CC=1C)N)(F)F
Computed Properties
- Exact Mass: 200.05613272Da
- Monoisotopic Mass: 200.05613272Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 253
- 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: 2.8
- Topological Polar Surface Area: 49.8?2
BENZONITRILE, 2-AMINO-5-METHYL-4-(TRIFLUOROMETHYL)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D376095-5g |
2-amino-5-methyl-4-(trifluoromethyl)benzonitrile |
871571-27-6 | 97% | 5g |
$2800 | 2023-09-03 | |
| eNovation Chemicals LLC | D376095-25g |
2-amino-5-methyl-4-(trifluoromethyl)benzonitrile |
871571-27-6 | 97% | 25g |
$5600 | 2023-09-03 |
BENZONITRILE, 2-AMINO-5-METHYL-4-(TRIFLUOROMETHYL)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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