2-(Trifluoromethyl)indole - CAS 51310-54-4
Catalog: |
BB027405 |
Product Name: |
2-(Trifluoromethyl)indole |
CAS: |
51310-54-4 |
Synonyms: |
2-(trifluoromethyl)-1H-indole |
IUPAC Name: | 2-(trifluoromethyl)-1H-indole |
Description: | 2-(Trifluoromethyl)indole (CAS# 51310-54-4) is a useful research chemical. |
Molecular Weight: | 185.15 |
Molecular Formula: | C9H6F3N |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(N2)C(F)(F)F |
InChI: | InChI=1S/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H |
InChI Key: | QFHVHZJGQWMBTE-UHFFFAOYSA-N |
Boiling Point: | 256.676 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.368 g/cm3 |
MDL: | MFCD04972104 |
LogP: | 3.18670 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113185445-A | Green synthesis method of 2-trifluoromethyl indole | 20210426 |
CN-112979644-A | Method for preparing fluoromethylation indole [2,1, a ] isoquinoline derivative by using photocatalysis microchannel | 20210219 |
KR-20210008819-A | Benzofuran-based n-acylhydrazone derivatives and pharmaceutical composition comprising the same | 20190715 |
WO-2021010731-A1 | Benzofuran-based n-acylhydrazone derivative and pharmaceutical composition comprising same | 20190715 |
CN-109293550-B | Trifluoromethyl-containing 3, 6' -asymmetric bis-indole compound and synthesis method thereof | 20181123 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04523368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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