3,4-Dibromobenzaldehyde - CAS 74003-55-7

Catalog:	BB034974
Product Name:	3,4-Dibromobenzaldehyde
CAS:	74003-55-7
Synonyms:	3,4-dibromobenzaldehyde; 3,4-dibromobenzaldehyde

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Computed Properties

IUPAC Name:	3,4-dibromobenzaldehyde
Description:	3,4-Dibromobenzaldehyde (CAS# 74003-55-7) is a useful research chemical.
Molecular Weight:	263.91
Molecular Formula:	C7H4Br2O
Canonical SMILES:	C1=CC(=C(C=C1C=O)Br)Br
InChI:	InChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChI Key:	UTYRZXNEFUYFCJ-UHFFFAOYSA-N
Boiling Point:	303.6 °C at 760 mmHg
Density:	1.977 g/cm³
Appearance:	Solid
MDL:	MFCD00236033
LogP:	3.02410

Publication Number	Title	Priority Date
CN-113072527-A	Potato ring rot pathogen resistant quercetin derivative and synthesis method and application thereof	20210406
CN-111517902-A	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof	20190201
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
FR-3080627-A1	ADHESIVE COMPOSITION FOR TEXTILE AND REINFORCING TEXTILE	20180426
WO-2019207141-A1	Adherence-improving composition for textile material and associated reinforcing textile material	20180426

PMID	Publication Date	Title	Journal
16149783	20050916	Synthesis and optical properties of isomeric branched pi-conjugated systems	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.86084
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.86289
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8