Tris(4-chlorophenyl)phosphine oxide

HCID 94943

Basic information

CAS
4576-56-1
Standard SMILES
O=P(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
GJBIMMKVOGMMLP-UHFFFAOYSA-N
Molecular formula
C18H12Cl3OP
Average molar mass
381.6 g/mol
Monoisotopic mass
379.96913467

Names & identifiers

Preferred name
Tris(4-chlorophenyl)phosphine oxide
IUPAC
1-bis(4-chlorophenyl)phosphoryl-4-chlorobenzene
English name
Tri(4-chlorophenyl)phosphine oxide
Molecular formula
C18H12Cl3OP
Molecular weight
381.62

Names & synonyms

4576-56-1Phosphine oxide, tris(p-chlorophenyl)-Tris(4-chlorophenyl)phosphine oxideTris(p-chlorophenyl)phosphine oxidePhosphine oxide, tris(4-chlorophenyl)-NSC-100662EVV6SBP6ADTXSID40196613RefChem:1100530DTXCID80119104TRI(4-CHLOROPHENYL)PHOSPHINE OXIDETri(4-chlorophenyl)phosphineoxide
Show more names
1-bis(4-chlorophenyl)phosphoryl-4-chlorobenzeneC18H12Cl3OPMFCD00045205tris(4-chlorophenyl)phosphineoxideNSC 10066BRN 2814673SCHEMBL1000520WLN: GR DPO&R DG&R DG

Database identifiers

CAS
4576-56-1
PubChem CID
94943
DTXSID
DTXSID40196613
UNII
2EVV6SBP6A
Nikkaji
J50.224C

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
23

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
176 °C · 176 °C
Boiling point
524 · 524.0±50.0 °C(Predicted)
Density
1.41 · 1.41±0.1 g/cm3(Predicted)
FDA UNII
2 EVV6SBP6A · 2EVV6SBP6A
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2931599090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]

Related reactions

3 records

Compound notes

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