2-Chlorothiophene-3-boronic acid
Basic information
- CAS
177734-82-6- Standard SMILES
OB(O)c1ccsc1Cl- InChIKey
JWVLMZZYJOJCTI-UHFFFAOYSA-N- Molecular formula
- C4H4BClO2S
- Average molar mass
- 162.41 g/mol
- Monoisotopic mass
- 161.9713584
Names & identifiers
- Preferred name
- 2-Chlorothiophene-3-boronic acid
- IUPAC
- (2-chlorothiophen-3-yl)boronic acid
- English name
- 2-Chlorothiophene-3-boronic acid
- Molecular formula
- C4H4BClO2S
- Molecular weight
- 162.4
Names & synonyms
2-CHLOROTHIOPHENE-3-BORONIC ACIDRefChem:470541694-909-5177734-82-6(2-Chlorothiophen-3-yl)boronic acid2-chlorothiophen-3-ylboronic acidBoronic acid, B-(2-chloro-3-thienyl)-2-Chloro-3-thiopheneboronic AcidMFCD05662391Boronic acid, (2-chloro-3-thienyl)-SCHEMBL257949(2-chloro-3-thienyl)boronic acid
Show more names
2-Chlorothiophene-3-Boronic2-Chlorothienyl-3-boronic acid2-CHLOROTHIOPHEN-3-BORONIC ACID2-CHLOOTHIOPHENE-3-BORONIC ACID5-Chlorothiophen-3-YlboronicAcid
AMY790DTXSID40625099JWVLMZZYJOJCTI-UHFFFAOYSA-N(2-Chlorothiophen-3-yl)boronicacidSBB071311AKOS006343535AB21733BS-2022
Database identifiers
- CAS
177734-82-6- PubChem CID
- 22348286
- DTXSID
DTXSID40625099- EC Number
- 694-909-5
Properties
Computed structural properties
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 322.7 · 322.7±52.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.96 · 7.96±0.58(Predicted)
- form
- solid
- color
- White
- CAS DataBase Reference
- 177734 · 177734-82-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
Safety data
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chlorothiophene-3-boronic acid acts as a reagent in the preparation of piperazinone derivatives that functions as potent HCV NS4B inhibitors.
Related reactions
1 records
Compound notes
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