2-Iodo-5-nitrobenzoic acid

HCID 3848745CAS 19230-50-3

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Grundinformationen

Standard-SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1I
InChIKey: JSSFIFUXHORXJX-UHFFFAOYSA-N
Summenformel: C7H4INO4
Durchschnittliche Molmasse: 293,02 g/mol
Monoisotopische Masse: 292,91851

Namen und Bezeichner

Bevorzugter Name: 2-Iodo-5-nitrobenzoic acid
IUPAC: 2-iodo-5-nitrobenzoic acid
Englischer Name: 2-Iodo-5-nitrobenzoic acid
Summenformel: C7H4INO4
Molmasse: 293.02

Namen und Synonyme

2-Iodo-5-nitrobenzoic acid19230-50-3DTXSID10397276RefChem:87665DTXCID40348135886-519-0Benzoic acid, 2-iodo-5-nitro-2-iodo-5-nitro-benzoic acidMFCD002342565-nitro-2-iodobenzoic acid2-iodo-5-nitro benzoic acidSCHEMBL3550116

Weitere Namen anzeigen

Benzoic acid,2-iodo-5-nitro-

DS-16219SY040815CS-00411222-Iodo-5-nitrobenzoicacidAC-907/250046102-Iodo-5-nitrobenzoic acid, 97%SBB062750TD1238

Datenbank-Bezeichner

CAS: 19230-50-3
PubChem CID: 3848745
DTXSID: DTXSID10397276
EC Number: 886-519-0
Nikkaji: J2.238.284E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 83,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 197 · 197-198 °C
Siedepunkt: 394.2 · 394.2±37.0 °C(Predicted)
Dichte: 2.156 · 2.156±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.16 · 2.16±0.10(Predicted)
InChI: InChI=1S/C7H4INO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey: JSSFIFUXHORXJX-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC([N+]([O-])=O)=CC=C1I

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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.