1-Ethynyl-4-phenoxybenzene

HCID 12788024

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Basic information

CAS: 4200-06-0
Standard SMILES: C#Cc1ccc(Oc2ccccc2)cc1
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
Molecular formula: C14H10O
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.07316494

Names & identifiers

Preferred name: 1-Ethynyl-4-phenoxybenzene
IUPAC: 1-ethynyl-4-phenoxybenzene
English name: 1-Ethynyl-4-phenoxybenzene
Molecular formula: C14H10O
Molecular weight: 194.23

Names & synonyms

1-Ethynyl-4-phenoxybenzene4200-06-0DTXSID40509865RefChem:230458DTXCID70460672626-025-24'-Phenoxyphenyl acetyleneMFCD038399921-ethynyl-4-phenoxy-benzeneSCHEMBL3090421-Ethynyl-4-phenoxybenzene, 97%AB91834

Show more names

-4-phenoxybenzene(4-Phenyloxyphenyl)ethyne1-Ehynyl-4-phenoxybenzene1-(4-ethynylphenoxy)benzeneBenzene, 1-ethynyl-4-phenoxy-1-Ethynyl-4-phenoxybenzene 97%1-ETHYNYL-4-(METHYLTHIO)-BENZENE1-ethynyl-4-(methylsulfanyl)benzene

EN300-236440F2108-0336SCHEMBL1856740AKOS005208482AS-58867FE142661SY269900DB-012642

Database identifiers

CAS: 4200-06-0
PubChem CID: 12788024
DTXSID: DTXSID40509865
EC Number: 626-025-2
Nikkaji: J652.817A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 284 ℃ · 284℃ (decomposition)
Boiling point: 90 · 90-95 °C0.4 mm Hg(lit.)
Density: 1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.6060(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Store at room temperature
Appearance: Light yellow to yellow Liquid
InChI: 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChIKey: LKMNQDOAPYPSNH-UHFFFAOYSA-N
SMILES: C#Cc1ccc(Oc2ccccc2)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 317 · H317-H318-H413
Precautionary statements: 273 · P273-P280-P302+P352-P305+P351+P338+P310
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 41 · 41-43
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Eye · Aquatic Chronic 4Eye Dam. 1Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.