5-(Trifluoromethyl)thiophen-2-ylboronic acid - CAS 958451-91-7

Catalog:	BB053662
Product Name:	5-(Trifluoromethyl)thiophen-2-ylboronic acid
CAS:	958451-91-7
Synonyms:	5-Trifluoromethyl-thiophene-2-boronic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-(trifluoromethyl)thiophen-2-yl]boronic acid
Molecular Weight:	195.96
Molecular Formula:	C5H4BF3O2S
Canonical SMILES:	B(C1=CC=C(S1)C(F)(F)F)(O)O
InChI:	InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
InChI Key:	NHBZQJOZVBHDAZ-UHFFFAOYSA-N
Boiling Point:	281.3°C at 760 mmHg
Purity:	95%
Density:	1.51 g/cm3

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Related Functional Groups

Boronic Acids and Esters

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2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
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2-Ethoxycarbonylphenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid

Fluorinated Building Blocks

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[40106-16-9]
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
[329082-04-4]
Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

GHS Hazard Statement:	H302 (100%): 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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.9977152
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.9977152
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0