Bromodifluoroacetic Acid - CAS 354-08-5

Catalog:	BB022631
Product Name:	Bromodifluoroacetic Acid
CAS:	354-08-5
Synonyms:	2-bromo-2,2-difluoroacetic acid; 2-bromo-2,2-difluoroacetic acid

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Computed Properties

IUPAC Name:	2-bromo-2,2-difluoroacetic acid
Description:	Bromodifluoroacetic Acid (CAS# 354-08-5) is a useful research chemical.
Molecular Weight:	174.93
Molecular Formula:	C2HBrF2O2
Canonical SMILES:	C(=O)(C(F)(F)Br)O
InChI:	InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)
InChI Key:	LZCMQBRCQWOSHZ-UHFFFAOYSA-N
Boiling Point:	145.5 °C at 760 mmHg
Density:	2.178 g/cm³
LogP:	1.05870

Publication Number	Title	Priority Date
CN-113511972-A	(E) Preparation method of (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivative	20210727
CN-112391644-A	Preparation method of disulfoxide compound	20201023
CN-111718228-A	Method for synthesizing carboxylic acid for prolonging two carbon chains by olefin in one step	20200730
CN-112592270-A	Preparation method of 2-halogenated-2, 2-difluoroacetic acid alkenyl ester	20200728
CN-112608236-A	Preparation method of 2-halogenated-2, 2-difluoroacetic acid alkynyl ester	20200728

PMID	Publication Date	Title	Journal
17077612	20061101	[Synthesis of fluorine compounds based on special properties of fluorine compounds]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan

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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:	91.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.91280
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.91280
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3