Ethylboronic acid - CAS 4433-63-0

Catalog:	BB046808
Product Name:	Ethylboronic acid
CAS:	4433-63-0
Synonyms:	Boronic acid, ethyl-; Ethaneboronic Acid; Ethyldihydroxyborane; 1-Ethylboronic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethylboronic acid
Description:	Ethylboronic acid (CAS# 4433-63-0 ) is a useful research chemical.
Molecular Weight:	73.89
Molecular Formula:	C2H7BO2
Canonical SMILES:	B(CC)(O)O
InChI:	InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3
InChI Key:	PAVZHTXVORCEHP-UHFFFAOYSA-N
Boiling Point:	154 °C at 760 mmHg
Melting Point:	161-162 °C
Purity:	≥ 95 %
Density:	0.941 g/cm³
Appearance:	White to slightly yellow crystalline powder, needles or flakes

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GHS Hazard Statement:	H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	21.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	74.0539096
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	74.0539096
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0