2-[(4-Benzoylphenoxy)methyl]oxirane

HCID 352816

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Basic information

CAS: 19533-07-4
Standard SMILES: O=C(c1ccccc1)c1ccc(OCC2CO2)cc1
InChIKey: LJRIZGQRKVWXSI-UHFFFAOYSA-N
Molecular formula: C16H14O3
Average molar mass: 254.28 g/mol
Monoisotopic mass: 254.09429431

Names & identifiers

Preferred name: 2-[(4-Benzoylphenoxy)methyl]oxirane
IUPAC: [4-(oxiran-2-ylmethoxy)phenyl]-phenylmethanone
English name: Methanone,[4-(oxiranylmethoxy)phenyl]phenyl-
Molecular formula: C16H14O3
Molecular weight: 254.28

Names & synonyms

2-[(4-benzoylphenoxy)methyl]oxirane2-((4-benzoylphenoxy)methyl)oxiraneRefChem:448879896-678-819533-07-42-(4-benzoylphenoxymethyl)oxirane(4-(Oxiran-2-ylmethoxy)phenyl)(phenyl)methanone4-glycidyloxy benzophenone[4-(oxiran-2-ylmethoxy)phenyl]-phenylmethanone[4-(oxiran-2-ylmethoxy)phenyl](phenyl)methanoneMFCD06655031METHANONE,[4-(OXIRANYLMETHOXY)PHENYL]PHENYL-

Show more names

[4-(2-Oxiranylmethoxy)phenyl]phenylmethanoneMethanone, [4-(2-oxiranylmethoxy)phenyl]phenyl-

4-(glycidyloxy)benzophenoneNSC528176SCHEMBL1160078DTXSID10326440LJRIZGQRKVWXSI-UHFFFAOYSA-NNSC-5281764-Glycidyloxy benzophenone (Stellar-2011)DS-000209

Database identifiers

CAS: 19533-07-4
PubChem CID: 352816
DTXSID: DTXSID10326440
EC Number: 896-678-8
Nikkaji: J967.810G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 301

Physicochemical properties

Melting point: 81 °C · 81 °C
Boiling point: 415.5 · 415.5±20.0 °C(Predicted)
Density: 1.2 · 1.200±0.06 g/cm3(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.