Diphenylethynylcarbinol

HCID 92976
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Basic information

CAS
3923-52-2
Standard SMILES
C#CC(O)(c1ccccc1)c1ccccc1
InChIKey
SMCLTAARQYTXLW-UHFFFAOYSA-N
Molecular formula
C15H12O
Average molar mass
208.25 g/mol
Monoisotopic mass
208.088815

Names & identifiers

Preferred name
Diphenylethynylcarbinol
IUPAC
1,1-diphenylprop-2-yn-1-ol
English name
1,1-Diphenyl-2-propyn-1-ol
Molecular formula
C15H12O
Molecular weight
208.26

Names & synonyms

1,1-Diphenyl-2-propyn-1-ol3923-52-2DiphenylethynylcarbinolEthynyldiphenylmethanol1,1-Diphenylpropargyl alcohol2-Propyn-1-ol, 1,1-diphenyl-3,3-Diphenyl-3-hydroxy-1-propyneBenzenemethanol, .alpha.-ethynyl-.alpha.-phenyl-NSC 113228BRN 05145496LV4Q9O7K4Benzenemethanol, alpha-ethynyl-alpha-phenyl-
Show more names
1,1-Diphenylprop-2-Yn-1-olTIMTEC-BB SBB008737Diphenylethinylcarbinol1,1-diphenyl-2-propyn-1-oDiphenyl ethynyl carbinol1,1-DIPHENYL-2-PROPYN-l-OL1,1-diphenylpropargylalcohol
1,1-diphenyl-1-hydroxy-2-propyne1,1-diphenylpropyn-1-olNSC-1132281,1-diphenyl-2-propyne-1-olDTXSID30216973,3-DIPHENYL-PROPYN-1-OL4-06-00-04940 (Beilstein Handbook Reference).ALPHA.-ETHYNYL-.ALPHA.-PHENYLBENZENEMETHANOL

Database identifiers

CAS
3923-52-2
PubChem CID
92976
DTXSID
DTXSID3021697
ChEMBL
CHEMBL3933877
UNII
6LV4Q9O7K4
EC Number
629-508-6
Nikkaji
J2.202K

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
47 · 47-49 °C (lit.)
Boiling point
183 °C/20 · 183 °C/20 mmHg (lit.)
Density
1.0459 · 1.0459 (rough estimate)
refractive index
1.5361 · 1.5361 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.

Warning

H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 79 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)

Safety data

F
10-23
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
DA4796050
hs_code
29062900
risk_code
36/37/38

Chemistry & industry

Applications · 3 items

Uses1,1-Diphenyl-2-propyn-1-ol is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used in medicine.

Uses1,1-Diphenyl-2-propyn-1-ol may be used in the synthesis of:(PCy3)2Cl2Ru(3-phenylinden-1-ylidene) (Cy=cyclohexyl)thieno-2H-chromenes{Ru(Cp*)(CO)[=C(OMe)CH=CPh2][Ph2PCH2C(=O)tBu]}[PF6] (Cp=cyclopentadienyl)

General Description1,1-Diphenyl-2-propyn-1-ol is an alkynol.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009

Related reactions

9 records
New reaction record

Compound notes

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