4-Bromobutanal - CAS 38694-47-2

Catalog:	BB023732
Product Name:	4-Bromobutanal
CAS:	38694-47-2
Synonyms:	4-bromobutanal; 4-bromobutanal

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromobutanal
Description:	4-Bromobutanal (CAS# 38694-47-2) is a useful reactant and reagent for the synthesis of organic compounds.
Molecular Weight:	151.00
Molecular Formula:	C4H7BrO
Canonical SMILES:	C(CC=O)CBr
InChI:	InChI=1S/C4H7BrO/c5-3-1-2-4-6/h4H,1-3H2
InChI Key:	GMZBZKVJMOEKGM-UHFFFAOYSA-N
Boiling Point:	177 °C at 760 mmHg
Density:	1.437 g/cm³
LogP:	1.36040

Publication Number	Title	Priority Date
CN-113264868-A	Improved synthesis method of 1-benzyl-3-piperidinol	20210531
CN-113265392-A	Cyano-group transfer catalyst and preparation method thereof	20210531
CN-111909077-A	2- (1-bromocyclobutyl) pyridine and synthesis method thereof	20200902
CN-111778297-A	Improved synthesis method of 1-benzyl-3-piperidinol intermediate	20200602
CN-111848495-A	Synthesis method of 1-benzyl-3-piperidinol	20200602

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Complexity:	36.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.96803
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.96803
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8