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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21NO2P.Br
Molecular Weight 478.318
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-Nitrobenzyl)triphenylphosphonium bromide

SMILES

[Br-].[O-][N+](=O)C1=CC=C(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1

InChI

InChIKey=IPJPTPFIJLFWLP-UHFFFAOYSA-M
InChI=1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C25H21NO2P
Molecular Weight 398.4135
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:39:46 GMT 2025
Edited
by admin
on Tue Apr 01 20:39:46 GMT 2025
Record UNII
6A45F8C6RL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-Nitrobenzyl)triphenylphosphonium bromide
Systematic Name English
NSC-104840
Preferred Name English
(p-Nitrobenzyl)triphenylphosphonium bromide
Common Name English
NSC-617038
Code English
Phosphonium, [(4-nitrophenyl)methyl]triphenyl-, bromide (1:1)
Systematic Name English
Triphenyl(p-nitrobenzyl)phosphonium bromide
Systematic Name English
Bromo[(4-nitrophenyl)methyl]triphenylphosphorane
Systematic Name English
PHOSPHONIUM, (P-NITROBENZYL)TRIPHENYL-, BROMIDE
Common Name English
Code System Code Type Description
FDA UNII
6A45F8C6RL
Created by admin on Tue Apr 01 20:39:46 GMT 2025 , Edited by admin on Tue Apr 01 20:39:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
220-444-0
Created by admin on Tue Apr 01 20:39:46 GMT 2025 , Edited by admin on Tue Apr 01 20:39:46 GMT 2025
PRIMARY
CAS
2767-70-6
Created by admin on Tue Apr 01 20:39:46 GMT 2025 , Edited by admin on Tue Apr 01 20:39:46 GMT 2025
PRIMARY
NSC
104840
Created by admin on Tue Apr 01 20:39:46 GMT 2025 , Edited by admin on Tue Apr 01 20:39:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID00950314
Created by admin on Tue Apr 01 20:39:46 GMT 2025 , Edited by admin on Tue Apr 01 20:39:46 GMT 2025
PRIMARY
PUBCHEM
197008
Created by admin on Tue Apr 01 20:39:46 GMT 2025 , Edited by admin on Tue Apr 01 20:39:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE