2,5-Dibromo-3,4-dinitrothiophene

HCID 257024

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Grundinformationen

CAS: 52431-30-8
Standard-SMILES: O=[N+]([O-])c1c(Br)sc(Br)c1[N+](=O)[O-]
InChIKey: AHGHPBPARMANQD-UHFFFAOYSA-N
Summenformel: C4Br2N2O4S
Durchschnittliche Molmasse: 331,93 g/mol
Monoisotopische Masse: 329,79455168

Namen und Bezeichner

Bevorzugter Name: 2,5-Dibromo-3,4-dinitrothiophene
IUPAC: 2,5-dibromo-3,4-dinitrothiophene
Englischer Name: 2,5-Dibromo-3,4-dinitrothiophene
Summenformel: C4Br2N2O4S
Molmasse: 331.93

Namen und Synonyme

2,5-Dibromo-3,4-dinitrothiopheneDTXSID10292696RefChem:444225DTXCID80243837676-535-452431-30-82,5-Dibromo-3,4-dinitro-thiopheneMFCD00015537Thiophene, 2,5-dibromo-3,4-dinitro-C4Br2N2O4SNSC84661NCIOpen2_009291

Weitere Namen anzeigen

DK82S1073NSC 84661AKOS 92299DibroMo-3,4-dinitrothioN-(4-methylphenyl)decanamide2,5-Dibromo-3,4-dinitrthiphene2,5-Dibromo-3,4-dinitrothiophe

2,5-dibromo-3,4-ditnitrothiopheneNSC-84661NSC145788NSC-145788AC-4941D23712,5-Dibromo-3,4-dinitrothiophene, 99% (GC)YSWG259

Datenbank-Bezeichner

CAS: 52431-30-8
PubChem CID: 257024
DTXSID: DTXSID10292696
EC Number: 676-535-4
Nikkaji: J358.766E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 120 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 137 °C · 137°C
Siedepunkt: 341.2 · 341.2±37.0 °C(Predicted)
Dichte: 2.459 · 2.459±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Acetone, Methanol
Aggregatzustand: Solid
Farbe: Light Orange
Wasserlöslichkeit: Insoluble in water.
BRN: 218219 · 218219
InChI: InChI=1S/C4Br2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
InChIKey: AHGHPBPARMANQD-UHFFFAOYSA-N
SMILES: C1(Br)SC(Br)=C([N+]([O-])=O)C=1[N+]([O-])=O
CAS Datenbank: 52431 · 52431-30-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36-37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenReatant in the synthesis of bromodinitro compound, polymers via stille coupling. 3,4-diaminothiophene was obtained from the reduction of 2,5-dibromo-3,4-dinitrothiophene.