N-p-Bromophenylthiourea

HCID 2735620CAS 2646-30-2

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Grundinformationen

Standard-SMILES: NC(=S)Nc1ccc(Br)cc1
InChIKey: MRVQULNOKCOGHC-UHFFFAOYSA-N
Summenformel: C7H7BrN2S
Durchschnittliche Molmasse: 231,12 g/mol
Monoisotopische Masse: 229,95133

Namen und Bezeichner

Bevorzugter Name: N-p-Bromophenylthiourea
IUPAC: (4-bromophenyl)thiourea
Englischer Name: 4-Bromophenylthiourea
Summenformel: C7H7BrN2S
Molmasse: 231.11

Namen und Synonyme

2646-30-24-Bromophenylthiourea1-(4-bromophenyl)thiourea(4-bromophenyl)thioureaN-p-BromophenylthioureaN-(4-Bromophenyl)thioureap-BromophenylthioureaThiourea, (4-bromophenyl)-4-Bromophenyl thioureaThiourea, N-(4-bromophenyl)-Urea, 1-(p-bromophenyl)-2-thio-NSC 3404

Weitere Namen anzeigen

AKOS BBS-00004777(p-Bromophenyl)thiourea(4-Bromophenyl)thiourea >4-Bromophenylthiourea, 98+%1-(4-BROMOPHENYL)-2-THIOUREA1-(p-bromophenyl)-2-thio-ure

M3NQV0N54TNSC 72167BRN 23618841-(p-bromophenyl)-2-thioureaNSC-3404NSC-72167CHEBI:34391DTXSID50181055

Datenbank-Bezeichner

CAS: 2646-30-2
PubChem CID: 2735620
DTXSID: DTXSID50181055
ChEBI: CHEBI:34391
UNII: M3NQV0N54T
EC Number: 671-712-2
Nikkaji: J49.092J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 70,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Schmelzpunkt: 183 · 183-184°C
Siedepunkt: 317 · 317.0±44.0 °C(Predicted)
Dichte: 1.728 · 1.728±0.06 g/cm3(Predicted)
pka: 12.81 · 12.81±0.70(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Green
BRN: 2361884 · 2361884
CAS Datenbank: 2646 · 2646-30-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 3 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.