3-Amino-2,4,6-triiodobenzoic acid

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Names

[ CAS No. ]:
3119-15-1

[ Name ]:
3-Amino-2,4,6-triiodobenzoic acid

[Synonym ]:
BENZOIC ACID,3-AMINO-2,4,6-TRIIODO
EINECS 221-493-0
3-Amino-2,4,6-trijodbenzoesaeure
MFCD00007681
2,4,6-Triiod-3-amino-benzoesaeure
3-Amino-2,4,6-triiodo-benzoic acid

Chemical & Physical Properties

[ Density]:
3.02g/cm3

[ Boiling Point ]:
478.9ºC at 760mmHg

[ Melting Point ]:
196-199 °C

[ Molecular Formula ]:
C7H4I3NO2

[ Molecular Weight ]:
514.82600

[ Flash Point ]:
243.4ºC

[ Exact Mass ]:
514.73800

[ PSA ]:
63.32000

[ LogP ]:
3.36200

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG3349000
CHEMICAL NAME :
Benzoic acid, 3-amino-2,4,6-triiodo-
CAS REGISTRY NUMBER :
3119-15-1
BEILSTEIN REFERENCE NO. :
2113495
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H4-I3-N-O2
MOLECULAR WEIGHT :
514.82
WISWESSER LINE NOTATION :
ZR BI DI FI CVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,721,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 19,483,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 18,33,1963

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P301 + P312 + P330-P305 + P351 + P338

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S36/37/39-S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
DG3349000

[ HS Code ]:
2922499990

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Aminobenzoic acid
  • Acetrizoic Acid
  • molecular iodine
  • Iodic acid

DownStream

  • iodipamide
  • Lotranic acid
  • Acetrizoic Acid
  • iodoxamic acid
  • ioglycamic acid

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%


Related Compounds

  • 3-Amino-2,4,6-triiodobenzoic acid sodium salt
  • 5-(acetylamino)-3-amino-2,4,6-triiodobenzoic acid
  • Disodium N,N'-adiphylbis(3-amino-2,4,6-triiodobenzoic acid)
  • 3-amino-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
  • 3-amino-2,4,6-triiodo-5-(2-oxopropylamino)benzoic acid
  • 3-amino-5-(butyramidomethyl)-2,4,6-triiodobenzoic acid
  • 1,1,1-Trifluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-2-ol
  • 3,3-Difluoro-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclobutan-1-amine
  • [2,2-Difluoro-1-(2-methoxynaphthalen-1-yl)cyclopropyl]methanamine
  • 3-[5-(Trifluoromethyl)furan-2-yl]-1,2-oxazole-5-carboxylic acid
  • 1-(2,6-Dimethoxy-4-methylphenyl)-2,2,2-trifluoroethan-1-one
  • [1-(3-Ethylphenyl)-3,3-difluorocyclobutyl]methanamine
  • 2,2-Difluoro-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
  • [2,2-Difluoro-1-(2-fluoro-5-methylphenyl)cyclopropyl]methanamine
  • 2,2-Difluoro-3-(3-methoxy-2-methylphenyl)propan-1-amine
  • 3-[1-(Aminomethyl)-2,2-difluorocyclopropyl]benzene-1,2-diol
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