m-Bromobenzohydrazide

HCID 520941CAS 39115-96-3

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Grundinformationen

Standard-SMILES: NNC(=O)c1cccc(Br)c1
InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N
Summenformel: C7H7BrN2O
Durchschnittliche Molmasse: 215,05 g/mol
Monoisotopische Masse: 213,97418

Namen und Bezeichner

Bevorzugter Name: m-Bromobenzohydrazide
IUPAC: 3-bromobenzohydrazide
Englischer Name: 3-Bromobenzhydrazide
Summenformel: C7H7BrN2O
Molmasse: 215.05

Namen und Synonyme

3-Bromobenzhydrazide39115-96-3m-BromobenzohydrazideBenzoic acid, 3-bromo-, hydrazide(m-Bromobenzoyl)hydrazine3-Bromobenzoic acid hydrazide(3-Bromobenzoyl)hydrazineEINECS 254-298-44UW6VH27M7Benzoic acid, m-bromo-, hydrazideM-BROMOBENZOYL HYDRAZIDE3-BROMOBENZOYL HYDRAZIDE

Weitere Namen anzeigen

AKOS B020281Nifuroxazide ImpurityNifuroxazide Impurity 1Nifuroxazide Impurity 5m-Bromobenzoic hydrazide3-Bromobenzhydrazide 98%

DTXSID90192367RefChem:800350DTXCID00114858254-298-43-Bromobenzohydrazide3-Bromobenzoic hydrazideMFCD000076003-bromobenzoylhydrazine

Datenbank-Bezeichner

CAS: 39115-96-3
PubChem CID: 520941
DTXSID: DTXSID90192367
UNII: 4UW6VH27M7
EC Number: 254-298-4
Nikkaji: J261.311E

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: 151

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-159 °C (lit.)
Dichte: 1.615 · 1.615±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 11.86 · 11.86±0.10(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: Slightly soluble in water (3.7 g/L) (25°C)
BRN: 1945814 · 1945814
InChI: 1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: BNAQRAZIPAHWAR-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccc(Br)c1
CAS Datenbank: 39115 · 39115-96-3(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 (95.6%): 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 45 reports by companies from 5 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 (95.6%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden3-Bromobenzhydrazide is used to produce 5-(3-bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction will need reagent potassium hydroxide and solvent ethanol.