2-Amino-3-nitrobenzoic acid

HCID 219633CAS 606-18-8

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Grundinformationen

Standard-SMILES: Nc1c(C(=O)O)cccc1[N+](=O)[O-]
InChIKey: JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Summenformel: C7H6N2O4
Durchschnittliche Molmasse: 182,13 g/mol
Monoisotopische Masse: 182,03275668

Namen und Bezeichner

Bevorzugter Name: 2-Amino-3-nitrobenzoic acid
IUPAC: 2-amino-3-nitrobenzoic acid
Englischer Name: 2-Amino-3-nitrobenzoic acid
Summenformel: C7H6N2O4
Molmasse: 182.13

Namen und Synonyme

2-Amino-3-nitrobenzoic acid606-18-8Benzoic acid, 2-amino-3-nitro-DTXSID60277211RefChem:85142DTXCID60228369628-682-0JJPIVRWTAGQTPQ-UHFFFAOYSA-N3-nitroanthranilic acid2-Amino-3-nitro-benzoic acidMFCD000242612-Amino-3-nitrobenzoicacid

Weitere Namen anzeigen

NSC 11622-NH2-3-NO2-BABUTTPARK 76\07-052- amino-3-nitrobenzoic3-NitroanthranilicAcid>2-Amino-3-nitrobenzoicaci2-Ami-3-nitrobenzoic acid2-Animo-3-nitrobenzoic acid

2-amino-3-nitro benzoic acid2-Amino-3-nitrobenzoic acid, 96%STK331096AKOS005137910CS-W008611EN300-66604Z1065585446amino-3-nitrob

Datenbank-Bezeichner

CAS: 606-18-8
PubChem CID: 219633
DTXSID: DTXSID60277211
EC Number: 628-682-0
Nikkaji: J7.002E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 207 · 207-211 °C
Siedepunkt: 315.51 °C · 315.51°C (rough estimate)
Dichte: 1.558 · 1.5580
Brechungsindex: 1.588 · 1.5880 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO, Methanol
pka: 4.2 · 4.20±0.20(Predicted)
Aggregatzustand: Solid
Farbe: Yellow
Major Application: peptide synthesis
InChI: InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
InChIKey: JJPIVRWTAGQTPQ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1N
CAS Datenbank: 606 · 606-18-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 48 reports by companies from 6 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.