7-bromo-4-(trifluoromethyl)-1H-indole - CAS 1260649-67-9

Catalog:	BB054138
Product Name:	7-bromo-4-(trifluoromethyl)-1H-indole
CAS:	1260649-67-9
Synonyms:	7-bromo-4-(trifluoromethyl)-1H-indole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	7-bromo-4-(trifluoromethyl)-1H-indole
Molecular Weight:	264.04
Molecular Formula:	C9H5BrF3N
Canonical SMILES:	C1=CC(=C2C(=C1C(F)(F)F)C=CN2)Br
InChI:	InChI=1S/C9H5BrF3N/c10-7-2-1-6(9(11,12)13)5-3-4-14-8(5)7/h1-4,14H
InChI Key:	DCIQJRYJGLTTMJ-UHFFFAOYSA-N
Boiling Point:	325.2±37.0 °C at 760 mmHg
Density:	1.7±0.1 g/cm3

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Related Functional Groups

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Halides

[859473-05-5]
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Indoles

[20776-45-8]
5-Benzyloxytryptamine
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.95575
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.95575
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6