(Triphenylphosphoranylidene)acetonitrile

HCID 85524CAS 16640-68-9
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
APISVOVOJVZIBA-UHFFFAOYSA-N
Molecular formula
C20H16NP
Average molar mass
301.3 g/mol
Monoisotopic mass
301.10203614

Names & identifiers

Preferred name
(Triphenylphosphoranylidene)acetonitrile
IUPAC
2-(triphenyl-λ5-phosphanylidene)acetonitrile
English name
(Triphenylphosphoranylidene)acetonitrile
Molecular formula
C20H16NP
Molecular weight
301.32

Names & synonyms

(Triphenylphosphoranylidene)acetonitrileEINECS 240-689-7DTXSID60168099NSC 135204RefChem:408578DTXCID0090590240-689-716640-68-92-(Triphenylphosphoranylidene)acetonitrile(Cyanomethylene)triphenylphosphoraneC20H16NP2-(triphenyl-lambda5-phosphanylidene)acetonitrile
Show more names
2-(triphenyl-l5-phosphanylidene)acetonitrile(Triphenylphosphine)carbonitrile(triphenylphosphine) acetonitrileTriphenyl(cyanomethylene)phosphoraneTriphenylphosphoranylidenacetonitrile
Acetonitrile, 2-(triphenylphosphoranylidene)-Acetonitrile, (triphenylphosphoranylidene)-MFCD00567633(Cyanomethyl)triphenylphosphonium-Cyanomethylene triphenylphosphorane(Triphenylphosphoranyl)acetonitrileCyanomethyltriphenylphosphonium ylideNSC-135204

Database identifiers

CAS
16640-68-9
PubChem CID
85524
DTXSID
DTXSID60168099
UNII
AP7LR5WB3X
EC Number
240-689-7
Nikkaji
J1.700.350J、J82.530A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
22

Physicochemical properties

Melting point
189 · 189-195 °C (lit.)
Boiling point
465.3 · 465.3±28.0 °C(Predicted)
Density
1.16 · 1.16±0.1 g/cm3(Predicted)
Flash point
110 °C · >110°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder to crystal

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 2811 6.1/PG III
hs_code
29319090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses(Triphenylphosphoranylidene)acetonitrile is a reactant in the synthesis of largazole analogues which displays potent cell growth inhibition and cytotoxicity. As well, is used in the synthesis of monoterpene derivatives against leukemia.

Preparation methods

Preparation(Triphenylphosphoranylidene)acetonitrile is prepared by reacting bromoacetonitrile and triphenylphosphine in ethyl acetate solution.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

42 records
New reaction record

Linked notes

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