Basic information
- CAS
952514-79-3- Standard SMILES
OB(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1- InChIKey
PBSIVXAPTBHFFV-UHFFFAOYSA-N- Molecular formula
- C19H15BN2O2
- Average molar mass
- 314.1 g/mol
- Monoisotopic mass
- 314.12265812
Names & identifiers
- Preferred name
- 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic Acid
- IUPAC
- [4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
- English name
- 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid
- Molecular formula
- C19H15BN2O2
- Molecular weight
- 314.15
Names & synonyms
4-(1-PHENYL-1H-BENZIMIDAZOL-2-YL)PHENYLBORONIC ACIDRefChem:510395808-176-8952514-79-3(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acidMFCD11045057Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-4-(1-Phenylbenzo[d]imidazol-2-yl)phenylboronic acid4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid (contains varying amounts of Anhydride)SB66409B-[4-(1-Phenyl-1H-benzimidazol-2-yl)phenyl]boronic acid
Show more names
BIBA(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)1-Phenyl-2-(4-phenylboronic acid)-benzimidazole1-phenyl-2-(phenyl-4-boronic acid)-benzimidazole1-phenyl-2-( phenyl-4-boromic acid)-benzimidazole[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-benzoiMidazole4-(1-Phenyl-1H-benzimidazol-2-yl)benzeneboronic Acid[3-(1-phenyl-1H-benziMidazol-2-yl)phenyl]Boronic acid
SY0389554-(1-Phenylbenzimidazol-2-yl)phenylboronic Acid(4(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acidSCHEMBL167664[4-(1-Phenyl-1H-benzimidazol-2-yl)phenyl]boronic acidB-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-boronic acidDTXSID80693030PBSIVXAPTBHFFV-UHFFFAOYSA-N
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 572.6 · 572.6±60.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 8.47 · 8.47±0.17(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C19H15BN2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,23-24H
- InChIKey
- PBSIVXAPTBHFFV-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(C2N(C3=CC=CC=C3)C3=CC=CC=C3N=2)C=C1)(O)O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933.99 · 2933.99.9701
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.9701
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
3 records
Compound notes
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