Basic information
- CAS
206551-43-1- Standard SMILES
CC(=O)c1ccc(B(O)O)s1- InChIKey
DCNMATSPQKWETQ-UHFFFAOYSA-N- Molecular formula
- C6H7BO3S
- Average molar mass
- 170 g/mol
- Monoisotopic mass
- 170.02089548
Names & identifiers
- Preferred name
- (5-Acetylthiophen-2-yl)boronic acid
- IUPAC
- (5-acetylthiophen-2-yl)boronic acid
- English name
- 5-Acetyl-2-thiopheneboronic acid
- Molecular formula
- C6H7BO3S
- Molecular weight
- 169.99
Names & synonyms
(5-acetylthiophen-2-yl)boronic AcidRefChem:403719681-554-6206551-43-15-Acetylthiophene-2-boronic acid5-Acetyl-2-thiopheneboronic acid5-Acetyl-2-thienylboronic Acid5-acetylthiophen-2-ylboronic acid(5-acetyl-2-thienyl)boronic acidMFCD01075681BORONIC ACID, B-(5-ACETYL-2-THIENYL)-SCHEMBL217943
Show more names
AKOS BRN-0238CAS:206551-43-1RARECHEM AH PB 01355-Acetylthiophene-2-boronic5-Acetothiophene-2-boronic acid2-Acetylthiphene-2-boronic acid5- acetylthiopheneboric acid -2-
CHEMBL1397135-Acetyl-2-thiophene boronic acid(5-ACETYLTHIEN-2-YL)BORONIC ACID5-Acetylthiophe5-Acetylthiophene-2-boronicacidBORONIC ACID, (5-ACETYL-2-THIENYL)-5-acetylthiophen-2-boronic acidDTXSID50399855
Database identifiers
- CAS
206551-43-1- PubChem CID
- 4143377
- DTXSID
DTXSID50399855- ChEMBL
CHEMBL139713- EC Number
- 681-554-6
- Nikkaji
- J1.059.507J
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 133 · 133-138 °C (lit.)
- Boiling point
- 399.3 · 399.3±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- soluble in Methanol
- pka
- 7.47 · 7.47±0.53(Predicted)
- form
- Crystalline Powder
- color
- White
- BRN
- 8681302 · 8681302
- InChI
- 1S/C6H7BO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3,9-10H,1H3
- InChIKey
- DCNMATSPQKWETQ-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(s1)B(O)O
- CAS DataBase Reference
- 206551 · 206551-43-1(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29310095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Keep Cold
- safety_code
- 26-36-37
- hazard_class
- IRRITANT, KEEP COLD, CORROSIVE
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Usessuzuki reaction
UsesReactant for:Bioreduction by alcohol dehydrogenasePreparation of highly fluorescent photochromic dyes by photocyclization reactionsSuzuki-Miyaura cross-couplings
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
40 records
Compound notes
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