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Sodium Bromodifluoroacetate

Sodium Bromodifluoroacetate - CAS 84349-27-9

Catalog:	BB037175
Product Name:	Sodium Bromodifluoroacetate
CAS:	84349-27-9
Synonyms:	sodium;2-bromo-2,2-difluoroacetate; sodium;2-bromo-2,2-difluoroacetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	sodium;2-bromo-2,2-difluoroacetate
Description:	Sodium Bromodifluoroacetate (CAS# 84349-27-9) is a useful research chemical.
Molecular Weight:	196.91
Molecular Formula:	C2BrF2O2Na
Canonical SMILES:	C(=O)(C(F)(F)Br)[O-].[Na+]
InChI:	InChI=1S/C2HBrF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChI Key:	CAQKQIYWKXZJGD-UHFFFAOYSA-M
Boiling Point:	145.5 ℃ at 760 mmHg
Solubility:	Water : Soluble
MDL:	MFCD04038355
LogP:	-0.27600

Publication Number	Title	Priority Date
CN-112679434-A	Aryloxy (thio) gem-difluoro HPPD inhibitor, preparation method and application	20201225
WO-2021209383-A1	Herbicidal compounds	20200417
WO-2021158634-A1	Irak degraders and uses thereof	20200203
WO-2021113492-A1	Cyclic compounds and methods of using same	20191206
WO-2021105091-A1	Novel heteroaryl-triazole compounds as pesticides	20191125

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Related Functional Groups

Halides

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GHS Hazard Statement:	H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	96
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.89474
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.89474
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0