2,4-Dibromo-1,3-thiazole

HCID 2763297CAS 4175-77-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Brc1csc(Br)n1
InChIKey: MKEJZKKVVUZXIS-UHFFFAOYSA-N
Summenformel: C3HBr2NS
Durchschnittliche Molmasse: 242,92 g/mol
Monoisotopische Masse: 240,81964423

Namen und Bezeichner

Bevorzugter Name: 2,4-Dibromo-1,3-thiazole
IUPAC: 2,4-dibromo-1,3-thiazole
Englischer Name: 2,4-Dibromothiazole
Summenformel: C3HBr2NS
Molmasse: 242.92

Namen und Synonyme

4175-77-32,4-dibromo-1,3-thiazoleDTXSID90961954RefChem:443193DTXCID401389768629-026-62,4-DibromothiazoleMFCD013189942,4-dibromo thiazole2,4-Dibromothiazole, 97%2,4-Dibromo-thiazoledibromothiazole

Weitere Namen anzeigen

2,4-BROMOTHIAZOLE2,4-Dibrmothiazole2,4-dibormothiazole2,4-Dibromothiazole>Thiazole, 2,4-dibroMo-2,4-DIBROMOTHIAZOLE 98%2,4-Dibromothiazole ,98%2,4-DIBROMOTHIAZOLE, 97+%

2.4-dibromothiazoleSCHEMBL67456orb2940521SCHEMBL28999120MKEJZKKVVUZXIS-UHFFFAOYSA-NCS-D1059SBB054426TYD-00057

Datenbank-Bezeichner

CAS: 4175-77-3
PubChem CID: 2763297
DTXSID: DTXSID90961954
EC Number: 629-026-6
Nikkaji: J449.907G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 70

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-84 °C
Siedepunkt: 242.8 · 242.8±13.0 °C(Predicted)
Dichte: 2.324 · 2.324±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -1.93 · -1.93±0.10(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H
InChIKey: MKEJZKKVVUZXIS-UHFFFAOYSA-N
SMILES: S1C=C(Br)N=C1Br
CAS Datenbank: 4175 · 4175-77-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (93.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 26-39-36-37/39
hazard_class: IRRITANT, KEEP COLD
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,4-Dibromothiazole is an intermediate used in the preparation of various 2,4-disubstituted thiazole derivatives with biologically active properties such as survival motor neuron (SMN) protein modula tors.