CAS 25118-59-6 4-Bromo-3-chlorobenzoic acid (HCID 12594302)

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Grundinformationen

CAS: 25118-59-6
Standard-SMILES: O=C(O)c1ccc(Br)c(Cl)c1
InChIKey: PSKJIHDVFDVNBU-UHFFFAOYSA-N
Summenformel: C7H4BrClO2
Durchschnittliche Molmasse: 235,46 g/mol
Monoisotopische Masse: 233,90831915

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-3-chlorobenzoic acid
IUPAC: 4-bromo-3-chlorobenzoic acid
Englischer Name: 4-BROMO-3-CHLOROBENZOIC ACID
Summenformel: C7H4BrClO2
Molmasse: 235.46

Namen und Synonyme

4-Bromo-3-chlorobenzoic acid25118-59-6DTXSID50503733RefChem:290838DTXCID40454543629-075-3Benzoic acid, 4-bromo-3-chloro-MFCD082768644-bromo-3-chloro-benzoic acidSCHEMBL1771403-Chloro-4-Bromor-benzoic acidAMY3501

Weitere Namen anzeigen

4-Bromo-3-chlorobenzoic Acid >3-Chloride-4-Bromine Benzoic Acids3-chloro-4-Bromor-benzoic acid 98+4-Bromo-3-Chlrorobenzoic acid CAS NO.25118-59-6

4-BROMO-3-CHLOROBENZOICACIDBCP247744-bromanyl-3-chloranyl-benzoic acidA817655A929633SBB063489STL5538534-Bromo-3-chlorobenzoic acid, 97%

Datenbank-Bezeichner

CAS: 25118-59-6
PubChem CID: 12594302
DTXSID: DTXSID50503733
EC Number: 629-075-3
Nikkaji: J3.152.698A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 220 · 220-224 °C
Siedepunkt: 333.7 · 333.7±27.0 °C(Predicted)
Dichte: 1.809 · 1.809±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 3.6 · 3.60±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C7H4BrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey: PSKJIHDVFDVNBU-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Br)C(Cl)=C1
CAS Datenbank: 25118 · 25118-59-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (87.2%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29163990
risk_code: 22-50/53
hazard_code: Xn,N,Xi
safety_code: 60-61
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Bromo-3-chlorobenzoic acid is a molecule that belongs to the class of antimicrobial compounds and is used for the treatment of gram-negative pathogens. It inhibits the growth of these bacteria by blocking their ability to synthesize DNA, RNA, and proteins.