(E)-1-Hexenylboronic Acid - CAS 42599-18-8

Catalog:	BB025182
Product Name:	(E)-1-Hexenylboronic Acid
CAS:	42599-18-8
Synonyms:	[(E)-hex-1-enyl]boronic acid; [(E)-hex-1-enyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[(E)-hex-1-enyl]boronic acid
Description:	(E)-1-Hexenylboronic Acid (CAS# 42599-18-8) is a useful research chemical.
Molecular Weight:	127.98
Molecular Formula:	C6H13O2B
Canonical SMILES:	B(C=CCCCC)(O)O
InChI:	InChI=1S/C6H13BO2/c1-2-3-4-5-6-7(8)9/h5-6,8-9H,2-4H2,1H3/b6-5+
InChI Key:	GWFKSQSXNUNYAC-AATRIKPKSA-N
Boiling Point:	227.8 °C at 760 mmHg
Density:	0.926 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD01074553
LogP:	0.74480

Publication Number	Title	Priority Date
CN-108047387-A	Modified polyamide resin and preparation method thereof and the water-based ink comprising the modified polyamide resin	20171229
CN-108047387-B	Modified polyamide resin and preparation method thereof and water-based ink comprising the modified polyamide resin	20171229
CN-108060608-A	A kind of facing paper and preparation method thereof	20171229
CN-108060608-B	Decorative paper and preparation method thereof	20171229
CA-3073108-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815

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Related Functional Groups

Boronic Acids and Esters

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2-Fluoro-4-formylphenylboronic acid
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	81.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	128.1008598
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.1008598
Rotatable Bond Count:	4
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0