5-Amino-2-bromobenzoic acid

HCID 2769624CAS 2840-02-0

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Grundinformationen

Standard-SMILES: Nc1ccc(Br)c(C(=O)O)c1
InChIKey: FEXDUVBQBNYSQV-UHFFFAOYSA-N
Summenformel: C7H6BrNO2
Durchschnittliche Molmasse: 216,03 g/mol
Monoisotopische Masse: 214,95819053

Namen und Bezeichner

Bevorzugter Name: 5-Amino-2-bromobenzoic acid
IUPAC: 5-amino-2-bromobenzoic acid
Englischer Name: 5-AMINO-2-BROMOBENZOIC ACID
Summenformel: C7H6BrNO2
Molmasse: 216.03

Namen und Synonyme

5-Amino-2-bromobenzoic acid2840-02-0DTXSID50377799RefChem:300951DTXCID50328827627-968-25-amino-2-bromo-benzoic AcidMFCD073689685-Amino-2-bromobenzoicacid5-amino-2-bromo benzoic acidSCHEMBL11806025-Amino-2-bromobenzoic acid, 94%

Weitere Namen anzeigen

5-AMINO-2-BROMOBENZOIC4-Bromo-3-carboxyaniline5-Amino-2-bromobenzoic acid 94%5-AMINO-2-BROMOBENZOIC ACID USP/EP/BP

CL8124GEO-00082AKOS005254653AC-3872PS-5122EN300-1100482-Bromo-5-aminobenzoic acidBenzoic acid, 5-amino-2-bromo-

Datenbank-Bezeichner

CAS: 2840-02-0
PubChem CID: 2769624
DTXSID: DTXSID50377799
EC Number: 627-968-2
Nikkaji: J80.573D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171-179 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Brown
Wasserlöslichkeit: Slightly soluble in water.
Major Application: peptide synthesis
InChI: InChI=1S/C7H6BrNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: FEXDUVBQBNYSQV-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(N)=CC=C1Br
CAS Datenbank: 2840 · 2840-02-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2922498590
risk_code: 22-36/37/38
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36/37
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs and is also used in medicine.