5-Brom-2-chlorbenzoesaeure

5-Bromo-2-chlorobenzoic acid

HCID 33127CAS 21739-92-4
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Grundinformationen

Standard-SMILES
O=C(O)c1cc(Br)ccc1Cl
InChIKey
FGERXQWKKIVFQG-UHFFFAOYSA-N
Summenformel
C7H4BrClO2
Durchschnittliche Molmasse
235,46 g/mol
Monoisotopische Masse
233,90831915

Namen und Bezeichner

Bevorzugter Name
5-Bromo-2-chlorobenzoic acid
IUPAC
5-bromo-2-chlorobenzoic acid
Lokaler Name
5-Brom-2-chlorbenzoesaeure
Englischer Name
5-Bromo-2-chlorobenzoic acid
Summenformel
C7H4BrClO2
Molmasse
235.46

Namen und Synonyme

5-Bromo-2-chlorobenzoic acid21739-92-4Benzoic acid, 5-bromo-2-chloro-DTXSID40176132EINECS 244-558-5RefChem:533141DTXCID6098623244-558-52-Chloro-5-bromobenzoic acidMFCD000024155-Bromo-2-Chloro benzoic acidDapagliflozin Impurity 33
Weitere Namen anzeigen
BCBA5-Br-2-CI Benzoic acid5-bromo-2-chlorobenzoate5-Bromo-2-chlorobenzoicaciEmpagliflozin Impurity 1822-chloro 5-bromo bezoic acid5-Bromo-2-Chlorobenzoci Acid5-Bromo-2-chlorobenzoic(BCBA)
5-bromo-2-chloro-benzoic acid5-bromo-2-chorobenzoic acid5-Bromo-2-chlorobenzoic acid, 98%AKOS000119557EN300-20497AB01331421-02BCP07097MFK3MYA2FZ

Datenbank-Bezeichner

CAS
21739-92-4
PubChem CID
33127
DTXSID
DTXSID40176132
UNII
MFK3MYA2FZ
EC Number
244-558-5
Nikkaji
J295J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,9
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
154 · 154-156 °C (lit.)
Siedepunkt
324.5 · 324.5±27.0 °C(Predicted)
Dichte
1.7312 · 1.7312 (rough estimate)
Brechungsindex
1.559 · 1.5590 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
2.63 g/l · 2.63g/l

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20063

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29163900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 5-bromo-2-chloro-: ACTIVE
Anwendungen · 2 Einträge

Beschreibung5-Bromo-2-chlorobenzoic acid (BCBA) is an organic reagent that can be used in electroinduced dehalogenation reactions. Ag/Cu electrodes exhibit high electrocatalytic activity in the dehalogenation reaction of BCBA. The process is characterised by a sequence of halide excretion and hydrogen addition. Since the bond dissociation energy value of C-Br bond is smaller than that of C-Cl bond, Br-w is more easily released from the benzene ring. As C-Br breaks, BCBA gains electrons and hydrogen to form the intermediate 2-chlorobenzoate. C-Cl then breaks in the same way to give the final product benzoate.

Verwenden5-Bromo-2-chlorobenzoic acid was used to evaluate the homogeneity of organic powder. It can be used to produce 2-chloro-5-deuteriobenzoic acid.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551
INTATRADE GmbH+49 3493/605464 · [email protected]

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