CAS 84284-70-8 4'-Benzyloxyphenyl acetylene (HCID 1490323)

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Basic information

CAS: 84284-70-8
Standard SMILES: C#Cc1ccc(OCc2ccccc2)cc1
InChIKey: XQHAOXRZNLCKJO-UHFFFAOYSA-N
Molecular formula: C15H12O
Average molar mass: 208.25 g/mol
Monoisotopic mass: 208.088815

Names & identifiers

Preferred name: 4'-Benzyloxyphenyl acetylene
IUPAC: 1-ethynyl-4-phenylmethoxybenzene
English name: 4'-Benzyloxyphenyl acetylene
Molecular formula: C15H12O
Molecular weight: 208.26

Names & synonyms

4'-Benzyloxyphenyl acetylene84284-70-8DTXSID20363422RefChem:283385DTXCID703144691-(benzyloxy)-4-ethynylbenzene1-ethynyl-4-phenylmethoxybenzene1-benzyloxy-4-ethynyl-benzeneMFCD01814885BENZENE, 1-ETHYNYL-4-(PHENYLMETHOXY)-4'-Benzyloxyphenylacetylene4-benzyloxyphenyl acetylene

Show more names

[4-(Benzyloxy)phenyl]acetylene4-benzyloxy ph1-Ethynyl-4-(phenylmethoxy)benzene4-benzyloxy phenyl acetylene1-benzyloxy-4-ethynylbenzene1-ethynyl-4-benzyloxybenzene4\'-Benzyloxyphenyl acetyleneSCHEMBL227697

Database identifiers

CAS: 84284-70-8
PubChem CID: 1490323
DTXSID: DTXSID20363422
EC Number: 675-981-7
Nikkaji: J2.695.408H

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 260 °C · 260 °C
Boiling point: 328.5 · 328.5±25.0 °C(Predicted)
Density: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

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