Basic information
- CAS
833-50-1- Standard SMILES
c1ccc(-c2nc3ccccc3o2)cc1- InChIKey
FIISKTXZUZBTRC-UHFFFAOYSA-N- Molecular formula
- C13H9NO
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.06841391
Overview
2-phenyl-1,3-benzoxazole is a 1,3-benzoxazole substituted by a phenyl group at position 2. It is a member of benzenes and a member of 1,3-benzoxazoles.
Names & identifiers
- Preferred name
- Benzoxazole, 2-phenyl-
- IUPAC
- 2-phenyl-1,3-benzoxazole
- English name
- 2-Phenylbenzoxazole
- Molecular formula
- C13H9NO
- Molecular weight
- 195.22
Names & synonyms
2-Phenylbenzoxazole833-50-1Benzoxazole, 2-phenyl-2-Phenyl-1,3-benzoxazolePhenyl-2 benzoxazolePhenyl-2 benzoxazole [French]NSC 29105CCRIS 7874AI3-15936NSC 406946DTXSID2061199RefChem:566390
Show more names
2-PHENYBENZOXAZOLETIMTEC-BB SBB0059232-phenyl-benzoxazolphenyl-2benzoxazoleBenzoxazole,2-phenyl-2-Phenylbenzoxazole,99%
DTXCID4048359623-301-4InChI=1/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-92-phenylbenzo[d]oxazole2-PHENYL-BENZOXAZOLEMFCD000121832-phenyl-benzooxazoleFRB2398AFS
Database identifiers
- CAS
833-50-1- PubChem CID
- 70030
- DTXSID
DTXSID2061199- ChEMBL
CHEMBL393435- ChEBI
CHEBI:234026- UNII
- FRB2398AFS
- EC Number
- 623-301-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
LogP3.67
Physicochemical properties
- Melting point
- 102 · 102-104 °C(lit.)
- Boiling point
- 331.88 °C · 331.88°C (rough estimate)
- Density
- 1.1266 · 1.1266 (rough estimate)
- refractive index
- 1.606 · 1.6060 (estimate)
- storage temp.
- Store at room temperature
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- pka
- 1.15 · 1.15±0.10(Predicted)
- color
- White to Light yellow to Dark green
- λmax
- 310 nm · 310nm(EtOH)(lit.)
- InChI
- 1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
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 44 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DM4865700
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazole, 2-phenyl-: ACTIVE
Applications
Uses2-Phenylbenzoxazole is present as a hydrophobic fluorospore in the fluorescent molecular sensors AS1-3. The synthesis and microbiological activity of a new series of 5-benzamido- and 5-phenylacetamidosubstituted-2-phenylbenzoxazole derivatives were studied.
General Description2-Phenylbenzoxazole is present as a hydrophobic fluorospore in the fluorescent molecular sensors AS1-3. The synthesis and microbiological activity of a new series of 5-benzamido- and 5-phenylacetamidosubstituted-2-phenylbenzoxazole derivatives were studied.
Upstream & downstream products
Upstream raw materials
Suppliers85 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
31 records
Compound notes
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