5-Iodoanthranilsaeure

Benzoic acid, 2-amino-5-iodo-

HCID 72911CAS 5326-47-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc(I)cc1C(=O)O
InChIKey: GOLGILSVWFKZRQ-UHFFFAOYSA-N
Summenformel: C7H6INO2
Durchschnittliche Molmasse: 263,03 g/mol
Monoisotopische Masse: 262,94432643

Namen und Bezeichner

Bevorzugter Name: Benzoic acid, 2-amino-5-iodo-
IUPAC: 2-amino-5-iodobenzoic acid
Lokaler Name: 5-Iodoanthranilsaeure
Englischer Name: 2-Amino-5-iodobenzoic acid
Summenformel: C7H6INO2
Molmasse: 263.03

Namen und Synonyme

2-Amino-5-iodobenzoic acid5326-47-6Benzoic acid, 2-amino-5-iodo-Anthranilic acid, 5-iodo-5-Iodoanthranil acidNSC 302EINECS 226-205-7BRN 06390294-14-00-01084 (Beilstein Handbook Reference)RefChem:565514Anthranilic acid, 5-iodo-(8CI)226-205-7

Weitere Namen anzeigen

TIMTEC-BB SBB0010065-Iodoanthanilic acid5-iodo-anthranilicaci2-Amino-5-iodobenzoic5-Iodoanthranillic acid5-IodoanthranilicAcid>5-lodo anthranillic acid2-amino-5-iodo-benzoicaci

InChI=1/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,115-Iodoanthranilic acid2-amino-5-iodo-benzoic acidMFCD00007849PM5QRB3P44NSC-302544423-71-42-Amino-5-iodobenzoicacid

Datenbank-Bezeichner

CAS: 5326-47-6
PubChem CID: 72911
DTXSID: DTXSID1063776
UNII: PM5QRB3P44
EC Number: 226-205-7
Nikkaji: J80.998E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
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

Experimentelle und physikochemische Eigenschaften

LogP2.67

Physikochemische Eigenschaften

Schmelzpunkt: 219 · 219-221 °C (dec.) (lit.)
Siedepunkt: 383.2 · 383.2±37.0 °C(Predicted)
Dichte: 1.8886 · 1.8886 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 4.59 · 4.59±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Beige or gray to purple
Wasserlöslichkeit: Soluble in alcohol. Insoluble in water.
BRN: 639029 · 639029
Major Application: peptide synthesis
InChI: InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: GOLGILSVWFKZRQ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(I)=CC=C1N
CAS Datenbank: 5326 · 5326-47-6(CAS DataBase Reference)
EPA chemische Informationen: 5 · 5-Iodoanthranilic acid (5326-47-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29224995
RTECS-Nr.: DG2802000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: IRRITANT, LIGHT SENSITIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 2-amino-5-iodo-: INACTIVE

Anwendungen

Verwenden2-Amino-5-iodobenzoic acid is used in wide range of medicals industrial applications as well as in human and animal nutrition products such as pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.