3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-indazole - CAS 35179-55-6
Catalog: |
BB050171 |
Product Name: |
3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-indazole |
CAS: |
35179-55-6 |
Synonyms: |
4,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-indazole; 3-Trifluoromethyl-4,5,6,7-tetrahydro-2H-indazole; 3-(trifluoromethyl)-1H-4,5,6,7-tetrahydroindazole; 1H-Indazole, 4,5,6,7-tetrahydro-3-(trifluoromethyl)- |
IUPAC Name: | 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole |
Description: | 3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-indazole (CAS# 35179-55-6 ) is a useful research chemical. |
Molecular Weight: | 190.17 |
Molecular Formula: | C8H9F3N2 |
Canonical SMILES: | C1CCC2=C(C1)C(=NN2)C(F)(F)F |
InChI: | InChI=1S/C8H9F3N2/c9-8(10,11)7-5-3-1-2-4-6(5)12-13-7/h1-4H2,(H,12,13) |
InChI Key: | KTULFINKQNWXNY-UHFFFAOYSA-N |
Boiling Point: | 255.6±35.0 °C (Predicted) |
Melting Point: | 121.9 °C |
Purity: | ≥ 95 % |
Density: | 1.345±0.06 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): 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 (50%): 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 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.07178278 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.07178278 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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