1,3,5-Tribrombenzol

1,3,5-Tribromobenzene

HCID 12279CAS 626-39-1

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Grundinformationen

Standard-SMILES: Brc1cc(Br)cc(Br)c1
InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N
Summenformel: C6H3Br3
Durchschnittliche Molmasse: 314,8 g/mol
Monoisotopische Masse: 311,7784864

Namen und Bezeichner

Bevorzugter Name: 1,3,5-Tribromobenzene
IUPAC: 1,3,5-tribromobenzene
Lokaler Name: 1,3,5-Tribrombenzol
Englischer Name: 1,3,5-Tribromobenzene
Summenformel: C6H3Br3
Molmasse: 314.8

Namen und Synonyme

1,3,5-TRIBROMOBENZENE626-39-1Benzene, 1,3,5-tribromo-DTXSID3052307O3TD0U1OAQDTXCID0030879NSC-62439RefChem:72330210-947-31,3,5-tribromo-benzeneEINECS 210-947-3MFCD00000080

Weitere Namen anzeigen

Tribromobenzene1,3,5-tribromo-benzenK03375-TribroMobenzeneTribromobenzene,98%1,3,5-tribroMophenylBenzene,1,3,5-tribromo-I,3,5-TribrombenzolC&W%161,3,5-Tribromobenzene >

AI3-154831,3,5-tribromobezeneBenzene,3,5-tribromo-1,3,5-Tribromobenzene, 98%NCGC00357185-01CAS-626-39-1SY006267CS-0019382

Datenbank-Bezeichner

CAS: 626-39-1
PubChem CID: 12279
DTXSID: DTXSID3052307
UNII: O3TD0U1OAQ
EC Number: 210-947-3
Nikkaji: J3.310C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 63,3

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-121 °C (lit.)
Siedepunkt: 271 °C · 271 °C (lit.)
Dichte: 2.3515 · 2.3515 (estimate)
Brechungsindex: 1.634 · 1.6340 (estimate)
Flammpunkt: 271 °C · 271°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in benzene, chloroform, and ether (Weast, 1986)
Aggregatzustand: Powder
Farbe: Almost white to orange-brown
Wasserlöslichkeit: Soluble in hot ethanol and acetic acid. Insoluble in water.
BRN: 1858917 · 1858917
Henry's Law Constant: 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N
SMILES: Brc1cc(Br)cc(Br)c1
CAS Datenbank: 626 · 626-39-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1,3,5-tribromo-(626-39-1)
EPA chemische Informationen: 1 · 1,3,5-Tribromobenzene (626-39-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Hazard Traits - Bioaccumulation; Environmental Persistence

1,3,5-tribromobenzene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (17%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29036990
RTECS-Nr.: DC1957200
risk_code: 36/37/38-53
hazard_code: Xi
safety_code: 22-24/25-37/39-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 4

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,3,5-tribromo-: ACTIVE

Anwendungen

Verwenden1,3,5-Tribromobenzene, is a reagent that can be used in the preparation of different inhibitors. It is also a substituted Bromobenzene, a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents.