2-Methyl-6-(trifluoromethoxy)-1H-indole

HCID 12180669CAS 57330-49-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIKey: RRLOHUDUPRNMML-UHFFFAOYSA-N
Molecular formula: C10H8F3NO
Average molar mass: 215.17 g/mol
Monoisotopic mass: 215.05579836

Names & identifiers

Preferred name: 2-Methyl-6-(trifluoromethoxy)-1H-indole
IUPAC: 2-methyl-6-(trifluoromethoxy)-1H-indole
English name: 1H-INDOLE, 2-METHYL-6-(TRIFLUOROMETHOXY)-
Molecular formula: C10H8F3NO
Molecular weight: 215.17

Names & synonyms

2-methyl-6-(trifluoromethoxy)-1H-indole57330-49-1DTXSID30479386RefChem:475790DTXCID50430196637-349-92-METHYL-6-TRIFLUOROMETHOXY-1H-INDOLEMFCD111117121H-Indole, 2-methyl-6-(trifluoromethoxy)-SCHEMBL2904269RRLOHUDUPRNMML-UHFFFAOYSA-NAKOS015842619

Show more names

SB377362-Methyl-6-(trifluoromethoxy)1H-indoleAS-39085CS-0080633F305296

Database identifiers

CAS: 57330-49-1
PubChem CID: 12180669
DTXSID: DTXSID30479386
EC Number: 637-349-9

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 25 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 231

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.