(9-Phenyl-9H-carbazol-2-yl)boronic acid
Basic information
- CAS
1001911-63-2- Standard SMILES
OB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2c1- InChIKey
XSAOVBUSKVZIBE-UHFFFAOYSA-N- Molecular formula
- C18H14BNO2
- Average molar mass
- 287.1 g/mol
- Monoisotopic mass
- 287.1117589
Names & identifiers
- Preferred name
- (9-Phenyl-9H-carbazol-2-yl)boronic acid
- IUPAC
- (9-phenylcarbazol-2-yl)boronic acid
- English name
- (9-phenyl-9H-carbazol-2-yl)boronic acid
- Molecular formula
- C18H14BNO2
- Molecular weight
- 287.12
Names & synonyms
(9-Phenyl-9H-carbazol-2-yl)boronic acid1001911-63-2DTXSID10736782RefChem:209926DTXCID90687526808-209-6(9-phenylcarbazol-2-yl)boronic acid9-Phenylcarbazole-2-boronic AcidMFCD22207050Boronic acid, B-(9-phenyl-9H-carbazol-2-yl)-2-BAPCSCHEMBL2127336
Show more names
DFFEN-Phenylcarbazol-2-boronic acidN-Phenylcarbazole-2-boronic acid(9-phenylcarbazol-2-yl)boronicaci9-Phenyl-9H-carbazole-2-boronic acid(9-phenyl-9H-carbazol-2-yl)boronic aci
9-Phenyl-9H-carbazol-2-ylboronicacidCS-W021124SB666119-Phenyl-9H-carbazol-2-ylboronic acidAMY178(9-Phenyl)carbazole-2-boronic acidOL10106SCHEMBL29671022
Database identifiers
- CAS
1001911-63-2- PubChem CID
- 67286243
- DTXSID
DTXSID10736782- EC Number
- 808-209-6
- Nikkaji
- J3.506.817A
Properties
Computed structural properties
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 466 · 466.0±51.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- very slightly in Tetrahydrofuran
- form
- powder to crystal
- pka
- 8.91 · 8.91±0.30(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C18H14BNO2/c21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h1-12,21-22H
- InChIKey
- XSAOVBUSKVZIBE-UHFFFAOYSA-N
- SMILES
- B(C1C=CC2C3=C(N(C4=CC=CC=C4)C=2C=1)C=CC=C3)(O)O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2931900090 · 2931900090
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses(9-phenyl-9H-carbazol-2-yl)boronic acid can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and in the process of chemical and pharmaceutical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
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