Bromoacetic Anhydride - CAS 13094-51-4

Catalog:	BB007203
Product Name:	Bromoacetic Anhydride
CAS:	13094-51-4
Synonyms:	2-bromoacetic acid (2-bromo-1-oxoethyl) ester; (2-bromoacetyl) 2-bromoacetate

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Computed Properties

IUPAC Name:	(2-bromoacetyl) 2-bromoacetate
Description:	Bromoacetic Anhydride (CAS# 13094-51-4) is a useful research chemical.
Molecular Weight:	259.88
Molecular Formula:	C4H4Br2O3
Canonical SMILES:	C(C(=O)OC(=O)CBr)Br
InChI:	InChI=1S/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChI Key:	FUKOTTQGWQVMQB-UHFFFAOYSA-N
Boiling Point:	226.2 °C at 760 mmHg
Density:	2.138 g/cm³
MDL:	MFCD00045041
LogP:	0.84600

Publication Number	Title	Priority Date
CN-112625226-A	Aromatic liquid-crystalline polyester, liquid-crystalline polyester composition, and method for producing liquid-crystalline polyester film	20200602
JP-2021136967-A	Fc-binding protein with improved heat stability, method for producing the protein, and antibody adsorbent using the protein	20200309
CN-110903612-A	Liquid crystal polyester composition and preparation method thereof	20191220
WO-2021124966-A1	Liquid crystalline polyester and method for manufacturing same	20191219
WO-2021126990-A1	Oxytocin derivatives with improved properties	20191216

PMID	Publication Date	Title	Journal
22178914	20120415	Matrix-assisted laser desorption/ionization mass spectrometry peptide sequencing utilizing selective N-terminal bromoacetylation	Analytical biochemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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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

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.85067
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.85272
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5