5-[4-(Trifluoromethyl)phenyl]tetrazole - CAS 2251-79-8
Catalog: |
BB017645 |
Product Name: |
5-[4-(Trifluoromethyl)phenyl]tetrazole |
CAS: |
2251-79-8 |
Synonyms: |
5-[4-(trifluoromethyl)phenyl]-2H-tetrazole; 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole |
Description: | 5-[4-(Trifluoromethyl)phenyl]tetrazole (CAS# 2251-79-8) is a useful research chemical. |
Molecular Weight: | 214.15 |
Molecular Formula: | C8H5F3N4 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNN=N2)C(F)(F)F |
InChI: | InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15) |
InChI Key: | CCVCHQBLMDMSNN-UHFFFAOYSA-N |
Boiling Point: | 315.2 °C at 760 mmHg |
Density: | 1.464 g/cm3 |
MDL: | MFCD00052525 |
LogP: | 1.88550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015187513-A1 | Photosensitizers, method of making them and their use in photoelectric conversion devices | 20131226 |
EP-2726515-B1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
FR-2977253-A1 | Alcoxylic organostannic reagent supported, prepared and used for the synthesis of heterogeneous phase tetrazoles | 20110630 |
US-2014206825-A1 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
US-9724673-B2 | Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles | 20110630 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.04663066 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.04663066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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