4-Brombenzohydrazid

4-Bromobenzohydrazide

HCID 22219CAS 5933-32-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NNC(=O)c1ccc(Br)cc1
InChIKey: UYIMBYKIIMYFPS-UHFFFAOYSA-N
Summenformel: C7H7BrN2O
Durchschnittliche Molmasse: 215,05 g/mol
Monoisotopische Masse: 213,97418

Namen und Bezeichner

Bevorzugter Name: 4-Bromobenzohydrazide
IUPAC: 4-bromobenzohydrazide
Lokaler Name: 4-Brombenzohydrazid
Englischer Name: 4-Bromobenzhydrazide
Summenformel: C7H7BrN2O
Molmasse: 215.05

Namen und Synonyme

4-BromobenzohydrazideUYIMBYKIIMYFPS-UHFFFAOYSA-RefChem:520466227-681-9InChI=1/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)5933-32-44-Bromobenzhydrazide4-Bromobenzoic hydrazidep-Bromobenzhydrazide4-Bromobenzoic acid hydrazidep-Bromobenzoic acid hydrazideBenzoic acid, 4-bromo-, hydrazide

Weitere Namen anzeigen

P-BROMOBENZOYLHYDRAZINE4-Bromobenzohydrazide >4-Bromobenzhydrazide, 98+%p-bromo-benzoicacihydrazide

4-BromobenzoylhydrazineMFCD00007602BENZOIC ACID, p-BROMO-, HYDRAZIDE4-bromobenzenecarbohydrazidep-BromobenzohydrazideNSC60114NSC-60114(p-Bromobenzoyl)hydrazine

Datenbank-Bezeichner

CAS: 5933-32-4
PubChem CID: 22219
DTXSID: DTXSID80208062
ChEMBL: CHEMBL124433
UNII: ZB65YY5L9G
EC Number: 227-681-9
Nikkaji: J41.209K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Schmelzpunkt: 167 · 167-169°C
Dichte: 1.615 · 1.615±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Powder
pka: 12.09 · 12.09±0.10(Predicted)
Farbe: Light beige
Wasserlöslichkeit: Soluble in hot methanol (almost transparency). Slightly soluble in water.
BRN: 777006 · 777006
InChI: InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: UYIMBYKIIMYFPS-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(Br)C=C1
CAS Datenbank: 5933 · 5933-32-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29280000
RTECS-Nr.: DG4449250
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Bromobenzoic hydrazide has been used in the preparation of {2-[1-oxo-3-(4-bromophenyl)-2-propenyl]hydrazide}-4-bromobenzoic acid, {2,2-[1,4-phenylenebis(1-oxo-2-propene-3,1-diyl)]dihydrazide}-p-bromobenzoic acid and substituted period[1,2-a]pyrimidine-2,4(3H)-diones (PPMDO).