5-Bromo-3-iodo-1H-indole - CAS 868694-19-3

Catalog:	BB044529
Product Name:	5-Bromo-3-iodo-1H-indole
CAS:	868694-19-3
Synonyms:	1H-Indole, 5-bromo-3-iodo-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-bromo-3-iodo-1H-indole
Description:	5-Bromo-3-iodo-1H-indole (CAS# 868694-19-3 ) is a useful research chemical.
Molecular Weight:	321.94
Molecular Formula:	C8H5BrIN
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=CN2)I
InChI:	InChI=1S/C8H5BrIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
InChI Key:	OCYVXFHJBHFPSD-UHFFFAOYSA-N
Boiling Point:	396.9±22.0 °C at 760 mmHg
Purity:	97 %
Density:	2.3±0.1 g/cm³

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Related Functional Groups

Halides

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[2114-39-8]
2-Bromo-1-phenylpropane

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[2642-37-7]
Indoxyl sulfate potassium salt
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): 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 (100%): 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:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	320.86501
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	320.86501
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6