1-Chloro-3-(triphenyl phosphoranylidene)propan-2-one

HCID 287004

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Basic information

CAS: 13605-66-8
Standard SMILES: O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl
InChIKey: NYAMPFDYTBDISG-UHFFFAOYSA-N
Molecular formula: C21H18ClOP
Average molar mass: 352.8 g/mol
Monoisotopic mass: 352.0783799

Names & identifiers

Preferred name: 1-Chloro-3-(triphenyl phosphoranylidene)propan-2-one
IUPAC: 1-chloro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one
English name: 3-Chloro-2-oxopropylidene triphenylphosphorane
Molecular formula: C21H18ClOP
Molecular weight: 352.79

Names & synonyms

1-chloro-3-(triphenyl phosphoranylidene)propan-2-oneRefChem:431317828-419-113605-66-83-Chloro-2-oxopropylidene triphenylphosphorane1-Chloro-3-(triphenylphosphoranylidene)propan-2-one2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-1-chloro-3-(triphenylphosphoranylidene)acetone1-Chloro-3-(triphenylphosphoranylidene)-2-propanone1-chloro-3-(triphenyl-lambda5-phosphanylidene)propan-2-oneMFCD04038921C21H18ClOP

Show more names

3-Chloro-2-oxopropylidene triphenylphosphorane, 98 %1-chloro-3-(triphenyl-l5-phosphanylidene)propan-2-one1-chloro-3-(triphenyl-λ5-phosphanylidene)propan-2-one

1-chloro-3-(triphenyl-phosphanylidene)propan-2-oneNSC146374chloroacetylmethylenetriphenylphosphoraneSCHEMBL2574392DTXSID80301784NYAMPFDYTBDISG-UHFFFAOYSA-NAKOS005746362AT23046

Database identifiers

CAS: 13605-66-8
PubChem CID: 287004
DTXSID: DTXSID80301784
EC Number: 828-419-1
Nikkaji: J772.812C

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 402

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
form: solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280-P260
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2931599090 · 2931599090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.