Name: Name:1-Nitro-4-[4-(trifluoromethyl)phenyl]benzene
Brand: AABLOCKS
SKU: AA005C6T
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA005C6T

Chemical Name: 1-Nitro-4-[4-(trifluoromethyl)phenyl]benzene

CAS Number: 80245-34-7

Molecular Formula: C13H8F3NO2

Molecular Weight: 267.2033

MDL Number: MFCD21609607

SMILES: [O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F

Properties

Storage: Keep in dry area;2-8℃;

Complexity: 311

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.2

Downstream Synthesis Route

80245-34-7

57688-34-3

[1]Glende,Carsten;Klein,Markus;Schmitt,Heimo;Erdinger,Lothar;Boche,Gernot[MutationResearch-GeneticToxicologyandEnvironmentalMutagenesis,2002,vol.515,#1-2,p.15-38]

[2]Chen,Tao;Li,Wen-Qin;Liu,Zheng;Jiang,Wen;Liu,Tian;Yang,Qing;Zhu,Xiao-Lei;Yang,Guang-Fu[JournalofAgriculturalandFoodChemistry,2021,vol.69,#40,p.12039-12047]

586-78-7

166328-08-1

80245-34-7

[1]Liu,Leifang;Dong,Yan;Pang,Bo;Ma,Jiahai[JournalofOrganicChemistry,2014,vol.79,#15,p.7193-7198]

[2]Liu,Leifang;Dong,Yan;Tang,Nana[GreenChemistry,2014,vol.16,#4,p.2185-2189]

80245-34-7

398-36-7

[1]Kashihara,Myuto;Yadav,M.Ramu;Nakao,Yoshiaki[OrganicLetters,2018,vol.20,#6,p.1655-1658]