B-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)boronic acid
Basic information
- CAS
279261-86-8- Standard SMILES
CC1(C)CCc2cc(B(O)O)ccc2O1- InChIKey
OPASKLZYFJAYSX-UHFFFAOYSA-N- Molecular formula
- C11H15BO3
- Average molar mass
- 206.05 g/mol
- Monoisotopic mass
- 206.1114245
Names & identifiers
- Preferred name
- B-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)boronic acid
- IUPAC
- (2,2-dimethyl-3,4-dihydrochromen-6-yl)boronic acid
Names & synonyms
279261-86-8(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)boronic acidDTXSID401181342B-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)boronic acidRefChem:560663DTXCID901612679897-639-82,2-DIMETHYLCHROMAN-6-YLBORONIC ACID(2,2-Dimethylchroman-6-yl)boronic acidSCHEMBL1893764SCHEMBL29952832OPASKLZYFJAYSX-UHFFFAOYSA-N
Show more names
AKOS004113854AB30145DB-216604EN300-9455287(2,2-dimethyl-3,4-dihydrochromen-6-yl)boronic acidZ1509573743(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)boronic acid2,2-DIMETHYL-3,4-DIHYDRO-2H-CHROMEN-6-YLBORONIC ACID
Database identifiers
- CAS
279261-86-8- PubChem CID
- 23005346
- DTXSID
DTXSID401181342- EC Number
- 897-639-8
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
10 records
Compound notes
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