2-Amino-4-brombenzoesure

2-Amino-4-bromobenzoic acid

HCID 88691CAS 20776-50-5

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Grundinformationen

Standard-SMILES: Nc1cc(Br)ccc1C(=O)O
InChIKey: BNNICQAVXPXQAH-UHFFFAOYSA-N
Summenformel: C7H6BrNO2
Durchschnittliche Molmasse: 216,03 g/mol
Monoisotopische Masse: 214,95819053

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-bromobenzoic acid
IUPAC: 2-amino-4-bromobenzoic acid
Lokaler Name: 2-Amino-4-brombenzoesure
Englischer Name: 2-Amino-4-bromobenzoic acid
Summenformel: C7H6BrNO2
Molmasse: 216.03

Namen und Synonyme

2-Amino-4-bromobenzoic acid20776-50-5benzoic acid, 2-amino-4-bromo-EINECS 244-025-7WZ79Y7SDK5DTXSID40174855RefChem:85183DTXCID8097346244-025-74-Bromoanthranilic AcidMFCD036184542-Amino-4-bromobenzoicacid

Weitere Namen anzeigen

BUTTPARK 49\07-494-BromoanthranilicAcid>2-AMINO-4-BROMOBENZOIC ACID4-bromo-2-aminoebnzoic acid4-Bromo-2-amino benzoic acid2-azanyl-4-bromo-benzoic acid2-Amino-4-bromobenzoic acid 97%2-Amino-4-bromobenzoic acid ,98%

CS-W003093HY-W003093AC-1317MB02895NCGC00171016-01PK04_096199F9995-0103Z431518646

Datenbank-Bezeichner

CAS: 20776-50-5
PubChem CID: 88691
DTXSID: DTXSID40174855
UNII: WZ79Y7SDK5
EC Number: 244-025-7
Nikkaji: J83.023B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
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: 230 · 230-234 °C
Siedepunkt: 352.4 · 352.4±32.0 °C(Predicted)
Dichte: 1.793 · 1.793±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 4.71 · 4.71±0.10(Predicted)
Farbe: White to Orange to Green
Wasserlöslichkeit: Soluble in water (slightly).
Major Application: peptide synthesis
InChI: InChI=1S/C7H6BrNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey: BNNICQAVXPXQAH-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Br)C=C1N
CAS Datenbank: 20776 · 20776-50-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (95.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 (95.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29224999
risk_code: 22
hazard_code: Xn
safety_code: 36/37
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral

Chemie und Industrie

Anwendungen

Verwenden2-Amino-4-bromobenzoic acid, , is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.