1-Benzothien-7-ylboronic acid
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Basic information
- CAS
628692-17-1- Standard SMILES
OB(O)c1cccc2ccsc12- InChIKey
RVFILKCRCVFHPV-UHFFFAOYSA-N- Molecular formula
- C8H7BO2S
- Average molar mass
- 178.02 g/mol
- Monoisotopic mass
- 178.02598086
Names & identifiers
- Preferred name
- 1-Benzothien-7-ylboronic acid
- IUPAC
- 1-benzothiophen-7-ylboronic acid
- English name
- 1-Benzothien-7-ylboronic acid
- Molecular formula
- C8H7BO2S
- Molecular weight
- 178.02
Names & synonyms
1-Benzothien-7-ylboronic acidRefChem:429626802-000-3628692-17-1Benzo[b]thiophen-7-ylboronic acid1-benzothiophen-7-ylboronic acidMFCD06740320BORONIC ACID, BENZO[B]THIEN-7-YL-benzothiophen-7-ylboronic acid7-Benzothiopheneboronic acidBoronic acid, B-benzo[b]thien-7-yl-7-benzothiophenylboronic acid
Show more names
B-Benzo[b]thien-7-ylboronic acid1-benzothien-7-ylboronic acid(SALTDATA: 0.8anhydride)
7-benzothiophene boronic acidbenzothiophene-7-boronic acidSCHEMBL394147Benzo[b]thiophen-7-ylboronicacidBenzo[b]thiophene-7-boronic acidDTXSID80586296RVFILKCRCVFHPV-UHFFFAOYSA-NALBB-011877
Database identifiers
- CAS
628692-17-1- PubChem CID
- 16640528
- DTXSID
DTXSID80586296- EC Number
- 802-000-3
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05,GHS02
- Signal word
- Danger
- Hazard statements
- 314 · H314-H228
- Precautionary statements
- 501 · P501-P260-P240-P210-P241-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
- HazardClass
- IRRITANT
- 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
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
- Danger
- Symbol(GHS)
- GHS05,GHS02
- hazard_class
- IRRITANT
- Hazard statements
- H314-H228
- Precautionary statements
- P501-P260-P240-P210-P241-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Related reactions
8 records
Compound notes
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