U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 5CO.Fe
Molecular Weight 195.896
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRON PENTACARBONYL

SMILES

[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

InChI

InChIKey=FYOFOKCECDGJBF-UHFFFAOYSA-N
InChI=1S/5CO.Fe/c5*1-2;

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CO
Molecular Weight 28.0101
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Iron pentacarbonyl, a toxic substance, is sensitive to air, heat, and light. It is used as an anti-knock agent in petrol.

Approval Year

PubMed

PubMed

TitleDatePubMed
Iron pentacarbonyl detection limits in the cigarette smoke matrix using FT-IR spectroscopy.
2005-11
Iron pentacarbonyl: its toxicity, detection, and potential for formation.
1967-01-01
A toxicity study of iron pentacarbonyl.
1959-01
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:16:34 GMT 2025
Edited
by admin
on Mon Mar 31 18:16:34 GMT 2025
Record UNII
6WQ62TAQ6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRON CARBONYL
VANDF  
Preferred Name English
IRON PENTACARBONYL
HSDB   MI   WHO-DD  
Common Name English
Iron pentacarbonyl [WHO-DD]
Common Name English
IRON PENTACARBONYL [HSDB]
Common Name English
IRON CARBONYL [VANDF]
Common Name English
IRON PENTACARBONYL [MI]
Common Name English
PENTACARBONYLIRON
Systematic Name English
Code System Code Type Description
EVMPD
SUB23166
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
PUBCHEM
26040
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
MERCK INDEX
m6413
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY Merck Index
WIKIPEDIA
IRON PENTACARBONYL
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
MESH
C515100
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
DAILYMED
6WQ62TAQ6Z
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
RXCUI
262150
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY RxNorm
HSDB
6347
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
DRUG CENTRAL
4475
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID3027746
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
CHEBI
30251
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
SMS_ID
100000088527
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-670-8
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
CAS
13463-40-6
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
FDA UNII
6WQ62TAQ6Z
Created by admin on Mon Mar 31 18:16:34 GMT 2025 , Edited by admin on Mon Mar 31 18:16:34 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY