-
Name
5-(Trifluoromethyl)indole
- EINECS
- CAS No. 100846-24-0
- Article Data13
- CAS DataBase
- Density 1.367 g/cm3
- Solubility
- Melting Point 67-69 °C
- Formula C9H6F3N
- Boiling Point 256.7 °C at 760 mmHg
- Molecular Weight 185.149
- Flash Point 109 °C
- Transport Information UN 2811 6.1/PG 3
- Appearance Beige powder
- Safety 26-36/37-45
- Risk Codes 25-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi,
T
- Synonyms 5-(Trifluoromethyl)-1H-indole;1H-Indole, 5-(triflu oromethyl)-(9CI);ZINC02384138;CID2763075;AB1005679;ST51053664;AC1MC7S8;
- PSA 15.79000
- LogP 3.18670
5-(Trifluoromethyl)indole Specification
The 5-(Trifluoromethyl)indole with CAS registry number of 100846-24-0 is also known as CID2763075. The IUPAC name is 5-(Trifluoromethyl)-1H-indole. It belongs to product categories of Indole/indoline/oxindole; Indole and Indoline; Indole; Indoles; Chemical Synthesis; Halogenated Heterocycles; Heterocyclic Building BlocksHeterocyclic Building Blocks; New Products for Chemical Synthesis. In addition, the formula is C9H6F3N and the molecular weight is 185.15. What's more, it is a beige powder and should be sealed in cool, dry room away from oxidants.
Physical properties about 5-(Trifluoromethyl)indole are: (1)XLogP3: 3.2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Exact Mass: 185.045234; (5)MonoIsotopic Mass: 185.045234; (6)Topological Polar Surface Area: 15.8; (7)Heavy Atom Count: 13; (8)Complexity: 190; (9)Covalently-Bonded Unit Count: 1.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is toxic if swallowed. During using it, wear suitable protective clothing and gloves. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C=CN2)C=C1C(F)(F)F
2. InChI: InChI=1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
3. InChIKey: LCFDJWUYKUPBJM-UHFFFAOYSA-N
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