2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]

Modify Date: 2025-08-25 15:30:57

2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] Structure
2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] structure
Common Name 2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]
CAS Number 2251-79-8 Molecular Weight 214.14700
Density 1.464g/cm3 Boiling Point 315.2ºC at 760mmHg
Molecular Formula C8H5F3N4 Melting Point 226°C
MSDS N/A Flash Point 144.4ºC

 Names

Name 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.464g/cm3
Boiling Point 315.2ºC at 760mmHg
Melting Point 226°C
Molecular Formula C8H5F3N4
Molecular Weight 214.14700
Flash Point 144.4ºC
Exact Mass 214.04700
PSA 54.46000
LogP 1.88550
InChIKey CCVCHQBLMDMSNN-UHFFFAOYSA-N
SMILES FC(F)(F)c1ccc(-c2nn[nH]n2)cc1

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2933990090

 Synthetic Route

~98%

2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] Structure

2H-Tetrazole,5-...

CAS#:2251-79-8

Literature: Sharghi, Hashem; Ebrahimpourmoghaddam, Sakineh; Doroodmand, Mohammad Mahdi Journal of Organometallic Chemistry, 2013 , vol. 738, p. 41 - 48

~60%

2H-Tetrazole,5-[4-(trifluoromethyl)phenyl] Structure

2H-Tetrazole,5-...

CAS#:2251-79-8

Literature: Sridhar, Madabhushi; Mallu, Kishore Kumar Reddy; Jillella, Raveendra; Godala, Kondalreddy; Beeram, Chinaramanaiah; Chinthala, Narsaiah Synthesis (Germany), 2013 , vol. 45, # 4 art. no. SS-2012-Z0887-OP, p. 507 - 510

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

5-[4-(Trifluoromethyl)Phenyl]-2H-1,2,3,4-Tetrazole
5-(4'-(trifluoromethyl)phenyl)tetrazole
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
MFCD00052525
5-(4-trifluoromethylphenyl)-1H-tetrazol
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