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Tantalum bromide

HCID 83480
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Basic information

CAS
13451-11-1
Standard SMILES
[Br][Ta]([Br])([Br])([Br])[Br]
InChIKey
GCPVYIPZZUPXPB-UHFFFAOYSA-I
Molecular formula
Br5Ta
Average molar mass
580.47 g/mol
Monoisotopic mass
575.53969

Overview

Tantalum(V) bromide is a chemical compound of tantalum and bromine. 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)

Names & identifiers

Preferred name
Tantalum bromide
IUPAC
pentabromotantalum
English name
TANTALUM (V) BROMIDE
Molecular formula
Br5Ta
Molecular weight
580.47

Names & synonyms

Tantalum(V) bromideTantalum pentabromidepentabromotantalumTantalum bromide (TaBr5)VX8APQ3732DTXSID1065471EINECS 236-618-4di-mu-bromido-bis(tetrabromidotantalum(V))di-mu-bromido-bis[tetrabromidotantalum(V)]RefChem:187396DTXCID5034226236-618-4
Show more names
Tantalum(Ⅴ)bromidetantalumbromide(tabr5)Tantalum(V)pentabromideTantalum (V) bromide, 99.99%Tantalum (V) bromide (99.9%-Ta)
266-599-867182-65-4EINECS 266-599-8tantalum bromide13451-11-1TANTALUM (V) BROMIDEtantalum(5+) pentabromideUNII-VX8APQ3732

Database identifiers

CAS
13451-11-1、67182-65-4
PubChem CID
83480
DTXSID
DTXSID1065471
UNII
VX8APQ3732
EC Number
236-618-4、266-599-8

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
6
Formal charge
0
Complexity
37.1

Physicochemical properties

Melting point
240 °C · 240 °C(lit.)
Boiling point
348 · 348,8°C
Density
4.989 g/mL · 4.989 g/mL at 25 °C(lit.)
form
powder
color
Yellow
Specific Gravity
4.989 · 4.989
Water Solubility
Insoluble in water.
Hydrolytic Sensitivity
7 · 7: reacts slowly with moisture/water
Sensitive
Moisture Sensitive
CAS DataBase Reference
13451 · 13451-11-1(CAS DataBase Reference)
FDA UNII
8 APQ3732 · VX8APQ3732
EPA Substance Registry System
Tantalum bromide (TaBr5) (13451-11-1)
Symbol(GHS)
5 · GHS05,GHS07
Hazard statements
302 · H302-H312-H314-H318-H332
Precautionary statements
260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Safety & regulation

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

GHS classification

GHS Classification · 4 items

Danger

H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (98.5%)

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)

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)

Uses & manufacturing

General Manufacturing InformationTantalum bromide (TaBr5): ACTIVE

Applications

UsesThe Tantalum Bromide Cluster is used for the preparation of heavy-atom derivatives for structure determination of biological macromolecules by X-ray analysis.

Upstream & downstream products

Upstream raw materials

Carbon tetrabromideHydrogen bromideTantalum pentoxideTantalum

Related reactions

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Compound notes

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Hazard Codes
C
Risk Statements
20 · 20/21/22-34
Safety Statements
22 · 22-26-27-36/37/39-45
RIDADR
3260 · UN 3260 8/PG 2
WGK Germany
3 · 3
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
III
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)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 3260 8/PG 2
risk_code
20/21/22-34
Symbol(GHS)
GHS05,GHS07
hazard_code
C
safety_code
22-26-27-36/37/39-45
hazard_class
8
packing_group
III
Hazard statements
H302-H312-H314-H318-H332
Precautionary statements
P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a