2-Bromo-3',4'-dimethoxyacetophenone - CAS 1835-02-5

Name: 2-Bromo-3',4'-dimethoxyacetophenone
Brand: BOC Sciences
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Catalog:	BB014062
Product Name:	2-Bromo-3',4'-dimethoxyacetophenone
CAS:	1835-02-5
Synonyms:	2-bromo-1-(3,4-dimethoxyphenyl)ethanone; 2-bromo-1-(3,4-dimethoxyphenyl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-(3,4-dimethoxyphenyl)ethanone
Description:	2-Bromo-3',4'-dimethoxyacetophenone (CAS# 1835-02-5) is a compound useful in organic synthesis.
Molecular Weight:	259.10
Molecular Formula:	C10H11BrO3
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)CBr)OC
InChI:	InChI=1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3
InChI Key:	NUAIPKMBWNVQIM-UHFFFAOYSA-N
Boiling Point:	326.5 °C at 760 mmHg
Density:	1.422 g/cm³
MDL:	MFCD03425186
LogP:	2.28140

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2019209948-A1	Compounds and uses thereof	20180425
WO-2019209948-A9	Compounds and uses thereof	20180425
RU-2652112-C1	Bromides of benzimidazolium derivatives as inhibitors of protein-tyrosinephosphatase 1b type (ptp1b)	20180122
AU-2018361828-A1	Antibacterial compounds	20171103
CA-3081423-A1	Antibacterial compounds	20171103

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.98916
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.98916
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6