2-(2'-Hydroxyphenyl)benzimidazole
Basic information
- CAS
2963-66-8- Standard SMILES
Oc1ccccc1-c1nc2ccccc2[nH]1- InChIKey
XWXMGTIHBYFTIE-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-(2'-Hydroxyphenyl)benzimidazole
- IUPAC
- 2-(1H-benzimidazol-2-yl)phenol
- English name
- 2-(2-Hydroxyphenyl)-1H-benzimidazole
- Molecular formula
- C13H10N2O
- Molecular weight
- 210.23
Names & synonyms
2963-66-8Phenol, 2-(1H-benzimidazol-2-yl)-2-(2'-Hydroxyphenyl)benzimidazoleDTXSID7062746RefChem:83876DTXCID20380292-(1H-benzo[d]imidazol-2-yl)phenol2-(2-Hydroxyphenyl)-1H-benzimidazole2-(1H-Benzimidazol-2-yl)phenol2-(2-Hydroxyphenyl)benzimidazole2-(o-Hydroxyphenyl)benzimidazole2-(1H-1,3-benzodiazol-2-yl)phenol
Show more names
2-chloroterephthalonitrileO-hydroxyphenylbenzimidazoleo-(1H-Benzimidazol-2-yl)phenol2-(2-HYDROXYMETHYL)-1H-BENZIMIDAZOLE
2-(2-Benzimidazolyl)phenol2-(1H-Benzoimidazol-2-yl)-phenolMFCD00022668Phenol, o-2-benzimidazolyl-2-(2'-Oxyphenyl)benzimidazole2-(2-Hydroxyphenyl)-1H-benzoimidazoleNSC 328192-(2-Hydroxyphenyl)1H-benzimidazole
Database identifiers
- CAS
2963-66-8- PubChem CID
- 18075
- DTXSID
DTXSID7062746- ChEMBL
CHEMBL203360- EC Number
- 626-869-1
- Nikkaji
- J308.144C、J721.223B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 239 · 239-243 °C
- Boiling point
- 444.2 · 444.2±47.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- Solubility Insoluble in water; soluble in ethanol
- form
- crystals
- pka
- 9.23 · 9.23(at 25℃)
- color
- White to tan
- PH Range
- 0 uorescence · Non0 uorescence (<9.9) to blue-violet 0 uorescence (9.9)
- λmax
- 245 nm, · 245nm, 300nm
- Major Application
- Optical devices, photography, plastic scintillation applications, fungicide, antiviral agent, antiinflammatory agent, antibacterial agent
- InChI
- 1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15)
- InChIKey
- XWXMGTIHBYFTIE-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1-c2nc3ccccc3[nH]2
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.99.8290
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-(1H-benzimidazol-2-yl)-: ACTIVE
Applications
Uses2-(2-Hydroxyphenyl)-1H-benzimidazole is a chemical reagent used in pharmaceutical syntheses. Used in the synthesis of selective inhibitors of PI3Kα against human tumor cell lines.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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