2-Brom-5-nitrothiophen

2-Bromo-5-nitrothiophene

HCID 83222CAS 13195-50-1

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(Br)s1
InChIKey: ZPNFMDYBAQDFDY-UHFFFAOYSA-N
Summenformel: C4H2BrNO2S
Durchschnittliche Molmasse: 208,04 g/mol
Monoisotopische Masse: 206,89896

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-nitrothiophene
IUPAC: 2-bromo-5-nitrothiophene
Lokaler Name: 2-Brom-5-nitrothiophen
Englischer Name: 2-Bromo-5-nitrothiophene
Summenformel: C4H2BrNO2S
Molmasse: 208.03

Namen und Synonyme

2-Bromo-5-nitrothiophene13195-50-1Thiophene, 2-bromo-5-nitro-DTXSID50157275EINECS 236-155-8NSC 511505RefChem:85787DTXCID0079766236-155-8ZPNFMDYBAQDFDY-UHFFFAOYSA-N5-bromo-2-nitrothiophene76216-72-3

Weitere Namen anzeigen

LABOTEST-BB LT004551005-Nitro-2-bromothiophene2-Nitro-5-bromothiophene2-Bromo-5-Nitrothiophene 99%2-Bromo-5-nitrothiophene ,98%2-Bromo-5-nitrothiophene, 97%2-Bromo-5-nitrothiophene CAS NO.13195-50-1

2-Bromo-5-nitro-thiopheneMFCD000224935-bromo-2-nitro-thiopheneSCHEMBL721463AMY20173SY003503Z600427368NSC511505

Datenbank-Bezeichner

CAS: 13195-50-1
PubChem CID: 83222
DTXSID: DTXSID50157275
EC Number: 236-155-8
Nikkaji: J213.741K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 74,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-48 °C (lit.)
Siedepunkt: 235 · 235-237°C
Dichte: 1.945 · 1.945±0.06 g/cm3(Predicted)
Flammpunkt: 235 · 235-237°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
Farbe: Brown
BRN: 120955 · 120955
InChI: InChI=1S/C4H2BrNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChIKey: ZPNFMDYBAQDFDY-UHFFFAOYSA-N
SMILES: C1(Br)SC([N+]([O-])=O)=CC=1
CAS Datenbank: 13195 · 13195-50-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-5-nitrothiophene may be used in the preparation of:3-bromo-4-(5-nitro-2-thienyl)-6-ethoxypyridine5-chloro-2-methoxy-4-(5-nitrothien-2-yl)-pyridine5-(5-nitrothien-2-yl)pyrimidine2-methoxy-5-(5-nitrothien-2-yl)pyrimidine