Basic information
- CAS
18039-18-4- Standard SMILES
COC(=O)c1ccc(C=Cc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1- InChIKey
QQKFUTGTZXPBGA-UHFFFAOYSA-N- Molecular formula
- C24H19NO3
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.13649347
Names & identifiers
- Preferred name
- Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-, methyl ester
- IUPAC
- methyl 4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate
- English name
- methyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoate
- Molecular formula
- C24H19NO3
- Molecular weight
- 369.41
Names & synonyms
Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-, methyl esterEINECS 241-949-2Benzoic acid, 4-(2-(4-(5-methyl-2-benzoxazolyl)phenyl)ethenyl)-, methyl esterMethyl 4-(2-(4-(5-methyl-2-benzoxazolyl)phenyl)vinyl)benzoateMethyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]benzoateMethyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoateMethyl 4-(2-(4-(5-methyl-2-benzoxazolyl)phenyl)ethenyl)benzoateRefChem:565884241-949-218039-18-4methyl 4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoateSCHEMBL9767559
Show more names
Methyl-4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoat4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-benzoic aci methyl ester4-[2-[4-(5-Methylbenzoxazol-2-yl)phenyl]ethenyl]benzoic acid methyl esterBenzoic acid,4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-,methyl ester
DTXSID2066305QQKFUTGTZXPBGA-UHFFFAOYSA-NMethyl 4-{2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethen-1-yl}benzoate
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 523.05 · 523.050±39.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.27 · 1.27[at 20℃]
- pka
- 2.661 · 2.661±0.10(predicted)
- LogP
- 6.76 at · 6.76 at 25℃
- EPA Substance Registry System
- 4 · Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-, methyl ester (18039-18-4)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-, methyl ester
REACH registered substance: Methyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoate (EC: 241-949-2)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-, methyl ester: ACTIVE
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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