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Tribromoisocyanuric acid

HCID 9863943
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Grundinformationen

CAS
17497-85-7
Standard-SMILES
O=c1n(Br)c(=O)n(Br)c(=O)n1Br
InChIKey
ZKWDCFPLNQTHSH-UHFFFAOYSA-N
Summenformel
C3Br3N3O3
Durchschnittliche Molmasse
365,76 g/mol
Monoisotopische Masse
362,74898

Überblick

Tribromoisocyanuric acid is an organobromide compound. It is used as a reagent for bromination in organic synthesis. 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, L709)

Namen und Bezeichner

Bevorzugter Name
Tribromoisocyanuric acid
IUPAC
1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione
Englischer Name
TribroMocyanuric acid
Summenformel
C3Br3N3O3
Molmasse
365.76

Namen und Synonyme

17497-85-71,3,5-tribromo-1,3,5-triazinane-2,4,6-trioneTribromoisocyanuric acidDTXSID604320601,3,5-tribromo-1,3,5-triazinetribromo-1,3,5-triazinane-2,4,6-trioneRefChem:190900DTXCID20382890tribromocyanuric acid1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tribromo-MFCD21604032L8RKK5P98Z
Weitere Namen anzeigen
N,N,N-Tribromoisocyanuric acid1,3,5-Tribromo-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Tribromo-1,3,5-triazine-2,4,6-trioneS-Triazine-2,4,6(1H,3H,5H)-trione, tribromo-S-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tribromo-C3Br3N3O3UNII-L8RKK5P98ZSCHEMBL309987

Datenbank-Bezeichner

CAS
17497-85-7
PubChem CID
9863943
DTXSID
DTXSID60432060
UNII
L8RKK5P98Z
Nikkaji
J60.110A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
60,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
12
Formalladung
0
Komplexität
202

Physikochemische Eigenschaften

Siedepunkt
324.3 · 324.3±25.0 °C(Predicted)
Dichte
3.259 · 3.259±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-4.49 · -4.49±0.20(Predicted)
InChI
InChI=1S/C3Br3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChIKey
ZKWDCFPLNQTHSH-UHFFFAOYSA-N
SMILES
N1(Br)C(=O)N(Br)C(=O)N(Br)C1=O

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Toxikologische Informationen

Treatment · 1 Eintrag

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 Eintrag

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 Eintrag

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 Eintrag

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)

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

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)

Verwendung und Herstellung

UsesIt is used as a reagent for bromination in organic synthesis. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

CyanursureNatriumhydroxidTetrachlormethanWasser

Nachgelagerte Produkte

Trichlorisocyanursäure

Anbieter54 Anbieter

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

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Alchem Pharmtech,Inc.8485655694 · [email protected]
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