2-Amino-5-chloro-3-nitrobenzoic acid

HCID 232055CAS 6324-51-2

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Grundinformationen

Standard-SMILES: Nc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]
InChIKey: BKTMGBPFFCRHST-UHFFFAOYSA-N
Summenformel: C7H5ClN2O4
Durchschnittliche Molmasse: 216,58 g/mol
Monoisotopische Masse: 215,9937843

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-chloro-3-nitrobenzoic acid
IUPAC: 2-amino-5-chloro-3-nitrobenzoic acid
Englischer Name: 2-AMINO-5-CHLORO-3-NITROBENZOIC ACID
Summenformel: C7H5ClN2O4
Molmasse: 216.58

Namen und Synonyme

2-amino-5-chloro-3-nitrobenzoic acid6324-51-2DTXSID10283004RefChem:464551DTXCID90234155100-696-72-amino-5-chloro-3-nitro-benzoic acidMFCD08752983NSC29083SCHEMBL5053805-Chloro-3-nitroanthranilic acidBKTMGBPFFCRHST-UHFFFAOYSA-N

Weitere Namen anzeigen

Benzoic acid, 2-amino-5-chloro-3-nitro-5-CHLORO-3-NITROANTHRANILIC ACID, 2-AMINO-5-CHLORO-3-NITROBENZOIC ACID

GAA32451NSC-29083AKOS005064504AB49025AT22707DA-04176CS-0145413

Datenbank-Bezeichner

CAS: 6324-51-2
PubChem CID: 232055
DTXSID: DTXSID10283004
EC Number: 100-696-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 255

Physikochemische Eigenschaften

Schmelzpunkt: 240 °C · 240 °C
Siedepunkt: 400.4 · 400.4±45.0 °C(Predicted)
Dichte: 1.691 · 1.691±0.06 g/cm3(Predicted)
pka: 3.83 · 3.83±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 reports by companies from 1 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.