Home Other Building Blocks 2-Butyne-1,4-diol

2-Butyne-1,4-diol

CAS No.:
110-65-6
Catalog Number:
AG003GTZ
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG003GTZ
Chemical Name:
2-Butyne-1,4-diol
CAS Number:
110-65-6
Molecular Formula:
C4H6O2
Molecular Weight:
86.0892
MDL Number:
MFCD00002915
IUPAC Name:
but-2-yne-1,4-diol
InChI:
InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChI Key:
DLDJFQGPPSQZKI-UHFFFAOYSA-N
SMILES:
OCC#CCO
EC Number:
203-788-6
UNII:
AXH202FPQM
NSC Number:
834
RTECS Number:
ES0525000
UN Number:
2716
Properties
Complexity:
66  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
86.09g/mol
Monoisotopic Mass:
86.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
Synthesis and anti-tumor activity of novel ethyl 3-aryl-4-oxo-3,3a,4,6-tetrahydro-1H-furo[3,4-c]pyran-3a-carboxylates. Bioorganic & medicinal chemistry letters 20110601
Synthesis of 5-thiodidehydropyranylcytosine derivatives as potential anti-HIV agents. Bioorganic & medicinal chemistry letters 20110601
Anisotropic nanomaterials: structure, growth, assembly, and functions. Nano reviews 20110101
(E)-1,1,4,4-Tetra-phenyl-but-2-yne-1,4-diol. Acta crystallographica. Section E, Structure reports online 20100301
[Setting limit values for chemical substances in the workplace: DNEL(INH) setting according to REACH principles following the example of 2-butyne-1,4-diol]. Medycyna pracy 20090101
Toxicology and carcinogenesis studies of propargyl alcohol (CAS No. 107-19-7) in F344/N rats and B6C3F1 mice (inhalation studies). National Toxicology Program technical report series 20080901
Preparation of 2-iodo allylic alcohols from 2-butyn-1,4-diol. The Journal of organic chemistry 20080215
Calculation of electric dipole intensity parameter to explore some interaction between hard metal ions Pr(III) and Nd(III) with pi-electron density of butene-1,4 and butyne-1,4-diols in non-aqueous solutions: an absorption spectral study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060101
Rational design and synthesis of androgen receptor-targeted nonsteroidal anti-androgen ligands for the tumor-specific delivery of a doxorubicin-formaldehyde conjugate. Journal of medicinal chemistry 20031120
Aquatic toxicity of selected chemicals as a basic criterion for environmental classification. Arhiv za higijenu rada i toksikologiju 20030901
The use of sulfonylamido pyrimidines incorporating an unsaturated side chain as endothelin receptor antagonists. Bioorganic & medicinal chemistry letters 20030310
A 13C solid-state NMR investigation of the alkynyl carbon chemical shift tensors for 2-butyne-1,4-diol. Solid state nuclear magnetic resonance 20020101
First total synthesis of (+/-)-taxifolial a and (+/-)-iso-caulerpenyne. Organic letters 20010531
Allergic contact dermatitis from 2-butin-1,4-diol. Allergy 20010301
Properties