5-Bromo-2-(hydroxymethyl)indole - CAS 53590-48-0

Catalog:	BB028276
Product Name:	5-Bromo-2-(hydroxymethyl)indole
CAS:	53590-48-0
Synonyms:	(5-bromo-1H-indol-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-bromo-1H-indol-2-yl)methanol
Description:	5-Bromo-2-(hydroxymethyl)indole (CAS# 53590-48-0) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	C1=CC2=C(C=C1Br)C=C(N2)CO
InChI:	InChI=1S/C9H8BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-4,11-12H,5H2
InChI Key:	ZIUDOZPLPNFTMR-UHFFFAOYSA-N
Boiling Point:	415.5 °C at 760 mmHg
Density:	1.714 g/cm³
Appearance:	Solid
MDL:	MFCD08689788
LogP:	2.42270

Publication Number	Title	Priority Date
CN-111171040-A	Dihydrofuropyran/pyridoindole derivatives and synthesis method thereof	20200215
KR-20210033002-A	Spirochroman derivative	20180713
TW-202035399-A	Spirochromane derivatives	20180713
BR-112020026996-A2	COMPOUND, USE OF COMPOUND, METHOD FOR THE TREATMENT OR PREVENTION OF A DISORDER ASSOCIATED WITH THE ACTIVITY OF NICOTINIC A7 ACETYLCHOLINE RECEPTOR, PHARMACEUTICAL COMPOSITION, COMBINATION, AND, PROCESS FOR COMPOUND COMPOUND	20180713
CN-112823157-A	Spirochroman derivatives	20180713

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Related Functional Groups

Indoles

[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[15861-24-2]
Indole-5-carbonitrile
[942-24-5]
Methyl indole-3-carboxylate
[39830-66-5]
Methyl indole-4-carboxylate
[1011-65-0]
Methyl indole-5-carboxylate

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.97893
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	224.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	36 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5