4-Bromothiophene-2-carbonitrile

HCID 14292355

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Grundinformationen

CAS: 18791-99-6
Standard-SMILES: N#Cc1cc(Br)cs1
InChIKey: DJYVXBJLHPKUKS-UHFFFAOYSA-N
Summenformel: C5H2BrNS
Durchschnittliche Molmasse: 188,05 g/mol
Monoisotopische Masse: 186,90913216

Namen und Bezeichner

Bevorzugter Name: 4-Bromothiophene-2-carbonitrile
IUPAC: 4-bromothiophene-2-carbonitrile
Englischer Name: 4-Bromothiophene-2-carbonitrile
Summenformel: C5H2BrNS
Molmasse: 188.05

Namen und Synonyme

4-bromothiophene-2-carbonitrile18791-99-64-Bromo-2-cyanothiopheneDTXSID90558540RefChem:520587DTXCID00509321690-832-6MFCD001149514-bromo-2-cyanothiophen2-THIOPHENECARBONITRILE, 4-BROMO-4-bromo-2-thiophenecarbonitrileSCHEMBL1492367

Weitere Namen anzeigen

4-Bromo-2-cyanothiophene >4-Bromothiophene-2-carbonitrile4-Bromothiophene-2-carbonitrile98%4-Bromothiophene-2-carbonitrile 98%4-Bromothiophene-2-carbonitrile ISO 9001：2015 REACH

4-bromo-2-thiophene carbonitrileSTK6944404-bromothiophene-2-carbonitrile, AldrichCPRB4212CS-00538992-Thiophenecarbonitrile,4-bromo-4-bromo-thiophene-2-carbonitrileFT-0678174

Datenbank-Bezeichner

CAS: 18791-99-6
PubChem CID: 14292355
DTXSID: DTXSID90558540
EC Number: 690-832-6
Nikkaji: J1.360.597A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 47 to · 47.0 to 51.0 °C
Siedepunkt: 230.4 · 230.4±20.0 °C(Predicted)
Dichte: 1.82 · 1.82±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
InChI: 1S/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H
InChIKey: DJYVXBJLHPKUKS-UHFFFAOYSA-N
SMILES: Brc1csc(c1)C#N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302+H332 (90.5%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

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 42 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 (97.6%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2934999090
risk_code: 22-37/38-41
hazard_code: Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3