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Re(CO)5Br

HCID 518902
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Basic information

CAS
14220-21-4
Standard SMILES
[Br][Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIKey
NWJBOTGGBYFKEJ-UHFFFAOYSA-M
Molecular formula
C5BrO5Re
Average molar mass
406.16 g/mol
Monoisotopic mass
405.84866

Overview

Bromopentacarbonylrhenium(I) is a chemical compound of bromine and rhenium. It is used for the syntheses of other rhenium complexes. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625, L716)

Names & identifiers

Preferred name
Re(CO)5Br
IUPAC
bromorhenium;carbon monoxide
English name
Rhenium pentacarbonyl bromide
Molecular formula
C5HBrO5Re
Molecular weight
407.17

Names & synonyms

Re(CO)5BrQ2512764rhenium(i) pentacarbonyl bromidebromorheniumPentacarbonylbromorheniumBROMOPENTACARBONYLRHENIUMbromopentacarbonylrhenium(i)Pentacarbonylrhenium bromidebromorhenium,carbon monoxidePENTACARBONYLBROMORHENIUM (I)Rhenium, bromopentacarbonyl-

Database identifiers

CAS
14220-21-4
PubChem CID
518902

Properties

Computed structural properties

Topological polar surface area
5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
106

Physicochemical properties

Melting point
90 °C · 90°C (subl.)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
crystal
color
off-white
Water Solubility
Insoluble in water.
Sensitive
Moisture Sensitive
InChI
1S/5CO.BrH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
InChIKey
NWJBOTGGBYFKEJ-UHFFFAOYSA-M
SMILES
Br[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
CAS DataBase Reference
14220 · 14220-21-4
UNSPSC Code
12161600 · 12161600
NACRES
22 · NA.22
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
301 · H301+H311+H331-H315-H319-H335
Precautionary statements
261 · P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Toxicology

Treatment · 1 item

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1 item

Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1 item

Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)

Signs and Symptoms · 1 item

Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

Applications · 1 item

UsesThis is used to study π-electron deficient complexes between tricarbonylhalorhenium and diimine ligands and also to prepare [3]-ferrocenophane complexes. The starting material for rhenium-polypyridine complexes that have potential applications in catalysis and solar energy conversion.

Upstream & downstream products

Downstream products

Rhenium pentacarbonyl chloride

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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target organs
Respiratory system
PPE
2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes
T
Risk Statements
23 · 23/24/25-36/37/38
Safety Statements
26 · 26-28-36/37/39-45
RIDADR
3288 · UN 3288 6.1/PG 3
WGK Germany
3 · 3
HazardClass
6.1 · 6.1
PackingGroup
II
HS Code
29310099 · 29310099
Storage Class
6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications
3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
ridadr
UN 3288 6.1/PG 3
hs_code
29310099
risk_code
23/24/25-36/37/38
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T
safety_code
26-28-36/37/39-45
hazard_class
6.1
Storage Class
6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
packing_group
II
target organs
Respiratory system
Hazard statements
H301+H311+H331-H315-H319-H335
Hazard Classifications
Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338