Basic information
- CAS
346585-03-3- Standard SMILES
Cn1ccc2ccc(B(O)O)cc21- InChIKey
JFLPMVAGELUJLF-UHFFFAOYSA-N- Molecular formula
- C9H10BNO2
- Average molar mass
- 174.99 g/mol
- Monoisotopic mass
- 175.08045896
Names & identifiers
- Preferred name
- (1-Methyl-1H-indol-6-yl)boronic acid
- IUPAC
- (1-methylindol-6-yl)boronic acid
- English name
- Boronic acid, (1-methyl-1H-indol-6-yl)-
- Molecular formula
- C9H10BNO2
- Molecular weight
- 174.99
Names & synonyms
346585-03-3(1-methyl-1H-indol-6-yl)boronic acidDTXSID90617207RefChem:204606DTXCID00567961Boronic acid, (1-methyl-1H-indol-6-yl)-(1-methylindol-6-yl)boronic acidSCHEMBL593671N-Methylindole-6-boronic acidSCHEMBL31326584JFLPMVAGELUJLF-UHFFFAOYSA-N1-methyl-1H-indol-6-ylboronic acid
Show more names
B-(1-methyl-1H-indol-6-yl)boronic acidBoronic acid, B-(1-methyl-1H-indol-6-yl)-
(1-methyl-1H-indol-6-yl)boronicacid1-methyl-1H-indol-6-yl-boronic acidDA-35290EN300-262958
Database identifiers
- CAS
346585-03-3- PubChem CID
- 21709054
- DTXSID
DTXSID90617207
Properties
Computed structural properties
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 402.6 · 402.6±37.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 9.18 · 9.18±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
12 records
Compound notes
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