2-Methylthiophene-3-boronic acid

HCID 21884630

Notes Reactions

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Basic information

CAS: 177735-10-3
Standard SMILES: Cc1sccc1B(O)O
InChIKey: IOZXRAJFXAKLNI-UHFFFAOYSA-N
Molecular formula: C5H7BO2S
Average molar mass: 141.99 g/mol
Monoisotopic mass: 142.02598086

Names & identifiers

Preferred name: 2-Methylthiophene-3-boronic acid
IUPAC: (2-methylthiophen-3-yl)boronic acid
English name: (2-Methylthiophen-3-yl)boronic acid
Molecular formula: C5H7BO2S
Molecular weight: 141.98

Names & synonyms

2-methylthiophene-3-boronic acidRefChem:476299846-800-0177735-10-3(2-Methylthiophen-3-yl)boronic acid2-methyl-3-thiopheneboronic acid(2-Methyl-3-thienyl)boronic acidMFCD12032042Boronic acid, B-(2-methyl-3-thienyl)-SCHEMBL577560DTXSID406194182-Methyl-thiophene-3-boronic acid

Show more names

2-METHYLTHIOPHENE-3-BORONIC ACID(RS20016085)(2-Methylthiophen-3-yl)boronic acid (contains varying amounts of Anhydride)

GS-5788SY022596F11322A852395AKOS015892931DB-010480EN300-212541F215106

Database identifiers

CAS: 177735-10-3
PubChem CID: 21884630
DTXSID: DTXSID40619418
EC Number: 846-800-0

Properties

Computed structural properties

Topological polar surface area: 68.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 99

Physicochemical properties

Boiling point: 299.5 · 299.5±42.0 °C(Predicted)
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
pka: 8.33 · 8.33±0.58(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-Methylthiophene-3-boronic acid (cas# 177735-10-3) is used as a reagent in the preparation of functionalized heterocycles as antiviral agents.