tert-Butylphosphonic acid - CAS 4923-84-6

Catalog:	BB026668
Product Name:	tert-Butylphosphonic acid
CAS:	4923-84-6
Synonyms:	tert-butylphosphonic acid

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Computed Properties

IUPAC Name:	tert-butylphosphonic acid
Description:	tert-Butylphosphonic acid (CAS# 4923-84-6) is a useful research chemical.
Molecular Weight:	138.10
Molecular Formula:	C4H11O3P
Canonical SMILES:	CC(C)(C)P(=O)(O)O
InChI:	InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)
InChI Key:	OGDSVONAYZTTDA-UHFFFAOYSA-N
Boiling Point:	255.4 °C at 760 mmHg
Appearance:	Off-white powder
MDL:	MFCD00012296
LogP:	0.96260

Publication Number	Title	Priority Date
JP-2020182375-A	Cable protection tube and fireproof structure	20200629
JP-2020125684-A	Building material	20200522
JP-2021155372-A	A stereoisomer of an epoxy compound, a curable composition containing the same, and a cured product obtained by curing the curable composition.	20200327
JP-2021158025-A	Heat dissipation sheet, battery cell, back cover material and electronic equipment	20200327
WO-2021193819-A1	Stereoisomer of epoxy compound, curable composition containing same, and cured object obtained by curing curable composition	20200327

PMID	Publication Date	Title	Journal
22849630	20120820	Silver(I) ethynide coordination networks and clusters assembled with tert-butylphosphonic acid	Inorganic chemistry
22764094	20120806	Borophosphonate cages: easily accessible and constitutionally dynamic heterocubane scaffolds	Chemistry (Weinheim an der Bergstrasse, Germany)
22624496	20120618	Hexanuclear copper(II) cages built on a central {μ3-O···H···μ3-O} moiety, 1,3-bis(dimethylamino)-2-propanolato and capping R-phosphonates: crystal structures, magnetic behavior, and DFT studies	Inorganic chemistry
22574912	20120521	Multicomponent assembly of anionic and neutral decanuclear copper(II) phosphonate cages	Inorganic chemistry
22071886	20120121	Distorted cubic tetranuclear vanadium(IV) phosphonate cages: double-four-ring (D4R) containing transition metal ion phosphonate cages	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Phosphorus Compounds

[4671-77-6]
1,4-Butanediphosphonic acid
[757-54-0]
Allylphosphonic acid dimethyl ester
[55552-24-4]
Ethyl (diphenylphosphino)acetate
[124755-24-4]
Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
[35051-50-4]
Ethyl 2-(diethoxyphosphoryl)-3-methylbutanoate
[20345-61-3]
Ethyl 2-(diethoxyphosphoryl)prop-2-enoate

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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:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.04458121
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.04458121
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6