2-(3-Amino-2,4,6-triiodophenyl)propionic acid

Modify Date: 2025-10-05 12:51:40

2-(3-Amino-2,4,6-triiodophenyl)propionic acid Structure
2-(3-Amino-2,4,6-triiodophenyl)propionic acid structure
 Common Name 2-(3-Amino-2,4,6-triiodophenyl)propionic acid
CAS Number 21762-12-9 Molecular Weight 542.87900
Density 2.679g/cm3 Boiling Point 518.8ºC at 760 mmHg
Molecular Formula C9H8I3NO2 Melting Point N/A
MSDS N/A Flash Point 267.6ºC

 Names

Name 2-(3-amino-2,4,6-triiodophenyl)propanoic acid

 Chemical & Physical Properties

Density 2.679g/cm3
Boiling Point 518.8ºC at 760 mmHg
Molecular Formula C9H8I3NO2
Molecular Weight 542.87900
Flash Point 267.6ºC
Exact Mass 542.76900
PSA 63.32000
LogP 3.85190
Vapour Pressure 1.37E-11mmHg at 25°C
Index of Refraction 1.779
InChIKey ZSBOXQIYDXCBKN-UHFFFAOYSA-N
SMILES CC(C(=O)O)c1c(I)cc(I)c(N)c1I

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE7200000
CHEMICAL NAME :
Propionic acid, 2-(3-amino-2,4,6-triiodophenyl)-
CAS REGISTRY NUMBER :
21762-12-9
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H8-I3-N-O2
MOLECULAR WEIGHT :
542.88
WISWESSER LINE NOTATION :
ZR BI DI FI CY1&VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,559,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
520 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,559,1970

 Safety Information

HS Code 2922499990

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
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Chemsrc provides CAS#:21762-12-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(3-Amino-2,4,6-triiodophenyl)propionic acid>> amp version: 2-(3-Amino-2,4,6-triiodophenyl)propionic acid

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