4-Chloro-2-butyn-1-ol - CAS 13280-07-4

Catalog:	BB007637
Product Name:	4-Chloro-2-butyn-1-ol
CAS:	13280-07-4
Synonyms:	4-chlorobut-2-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	4-chlorobut-2-yn-1-ol
Description:	4-Chloro-2-butyn-1-ol (CAS# 13280-07-4) is used in preparatiion of allenes.
Molecular Weight:	104.53
Molecular Formula:	C4H5ClO
Canonical SMILES:	C(C#CCCl)O
InChI:	InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2
InChI Key:	RPUJAOFSZSEVPC-UHFFFAOYSA-N
Boiling Point:	199.2 °C at 760 mmHg
Purity:	95 %
Density:	1.213 g/cm³
Storage:	-20 °C
MDL:	MFCD01656722
LogP:	0.22090

Publication Number	Title	Priority Date
WO-2021046448-A1	Very-long-chain polyunsaturated fatty acids, elovanoid hydroxylated derivatives, and methods of use	20190904
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
WO-2020206448-A1	Very-long-chain polyunsaturated fatty acids, elovanoid hydroxylated derivatives, and methods of use	20190404
US-2020290998-A1	Novel imidazole-pyrazole derivatives	20190308
TW-202100522-A	Novel imidazole-pyrazole derivatives	20190308

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Related Functional Groups

Alkynes

[137648-47-6]
Silane, [(2-iodophenyl)ethynyl]trimethyl-
[5390-04-5]
4-Pentyn-1-ol
[1450754-38-7]
3-(But-3-yn-1-yl)-3-(2-iodoethyl)-3H-diazirine
[1271-47-2]
Ethynylferrocene
[17156-64-8]
(Dimethylphenylsilyl)acetylene
[127-66-2]
2-Phenyl-3-butyn-2-ol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.0028925
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	104.0028925
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7