Thiophene-3-boronic acid - CAS 6165-69-1

Catalog:	BB050275
Product Name:	Thiophene-3-boronic acid
CAS:	6165-69-1
Synonyms:	3-Thiopheneboronic acid; 3-Thienylboronic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	thiophen-3-ylboronic acid
Description:	Thiophene-3-boronic acid (CAS# 6165-69-1 ) is a useful research chemical.
Molecular Weight:	127.96
Molecular Formula:	C4H5BO2S
Canonical SMILES:	B(C1=CSC=C1)(O)O
InChI:	InChI=1S/C4H5BO2S/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChI Key:	QNMBSXGYAQZCTN-UHFFFAOYSA-N
Boiling Point:	287.9±32.0 °C at 760 mmHg
Melting Point:	164-169 °C (lit.)
Flash Point:	Not applicable
Purity:	98 %
Density:	1.3±0.1 g/cm³
MDL:	MFCD00151851

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Related Functional Groups

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Thiophenes

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Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
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Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

GHS Hazard Statement:	H302 (83.33%): 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:	P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Signal Word:	Warning

Complexity:	78.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0103307
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.0103307
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0