4-bromo-3-formylindole - CAS 98600-34-1

Catalog:	BB042195
Product Name:	4-bromo-3-formylindole
CAS:	98600-34-1
Synonyms:	4-bromo-1H-indole-3-carboxaldehyde; 4-bromo-1H-indole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1H-indole-3-carbaldehyde
Description:	4-bromo-3-formylindole (CAS# 98600-34-1) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC2=C(C(=C1)Br)C(=CN2)C=O
InChI:	InChI=1S/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChI Key:	IPAFHZDRYAWZOB-UHFFFAOYSA-N
Boiling Point:	395.6 °C at 760 mmHg
Purity:	97 %
Density:	1.727 g/cm³
MDL:	MFCD05864695
LogP:	2.74290

Publication Number	Title	Priority Date
CN-108329249-A	A kind of method of synthesis of indole -3- benzaldehyde compounds	20180209
CN-108329249-B	Method for synthesizing indole-3-formaldehyde compound	20180209
CN-107935905-A	The synthetic method of Indiacens A	20171128
CN-107935905-B	Synthetic method of Indianens A	20171128
CN-109422745-B	Matrine acylhydrazone derivative, preparation method thereof and application of matrine acylhydrazone derivative in prevention and treatment of plant diseases and insect pests	20170821

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GHS Hazard Statement:	H302 (71.43%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2