1-Phenyl-1-hexyne

HCID 136908
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Basic information

CAS
1129-65-3
Standard SMILES
CCCCC#Cc1ccccc1
InChIKey
VBRLZTLFLNZEPZ-UHFFFAOYSA-N
Molecular formula
C12H14
Average molar mass
158.24 g/mol
Monoisotopic mass
158.10955045

Names & identifiers

Preferred name
1-Phenyl-1-hexyne
IUPAC
hex-1-ynylbenzene
English name
1-Phenyl-1-hexyne
Molecular formula
C12H14
Molecular weight
158.24

Names & synonyms

1-Phenyl-1-hexyne1-Hexyn-1-ylbenzene1HexynylbenzeneBenzene, 1hexynylnButyl phenyl acetyleneRefChem:435499627-845-31129-65-3hex-1-ynylbenzene1-Hexynylbenzenehex-1-yn-1-ylbenzeneBenzene, 1-hexynyl-
Show more names
benzene,1-hexynyl-1-hexyne,1-phenyl-TIMTEC-BB SBB008962
1-Hexyne, 1-phenyl-(hex-1-yn-1-yl)benzene1-Butyl-2-phenylacetyleneMFCD00039969Butylphenylacetylenebutyl phenylacetylenehex-1-ynyl-benzene1-Hexynylbenzene #

Database identifiers

CAS
1129-65-3
PubChem CID
136908
DTXSID
DTXSID50150206
EC Number
627-845-3
Nikkaji
J129.273K

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesChemical shift
Physical DescriptionSolid; [Sigma-Aldrich MSDS] Colorless to yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point
229 · 229-232 °C(lit.)
Density
0.9 g/mL · 0.9 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5349(lit.)
Flash point
208 °F · 208 °F
storage temp.
Sealed in dry,Room Temperature
form
clear liquid

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Phenylacetylene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2905.19.9090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses1-Phenyl-1-hexyne is an alkyne. Stereoselective hydrogenation of 1-phenyl-1-hexyne at 298K and atmospheric pressure of H2 over Pd catalysts supported on mesostructured silica is reported. Polymerization of 1-phenyl-1-hexyne by pentahalides of niobium and tanatalum has been reported. Electrolytically induced, base-catalyzed isomerization of 1-phenyl-1-hexyne to 1-phenyl-1, 2-hexadiene in dimethylformamide containing tetra-n-butylammonium perchlorate using glassy carbon rotating ring-disk electrode has been reported.

General Description1-Phenyl-1-hexyne is an alkyne. Stereoselective hydrogenation of 1-phenyl-1-hexyne at 298K and atmospheric pressure of H2 over Pd catalysts supported on mesostructured silica is reported. Polymerization of 1-phenyl-1-hexyne by pentahalides of niobium and tanatalum has been reported. Electrolytically induced, base-catalyzed isomerization of 1-phenyl-1-hexyne to 1-phenyl-1, 2-hexadiene in dimethylformamide containing tetra-n-butylammonium perchlorate using glassy carbon rotating ring-disk electrode has been reported.

Suppliers71 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [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

4 records
New reaction record

Compound notes

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