3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid

Modify Date: 2024-01-19 08:56:00

3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid Structure
3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid structure
Common Name 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid
CAS Number 5587-89-3 Molecular Weight 597.95700
Density 2.31g/cm3 Boiling Point 579.8ºC at 760mmHg
Molecular Formula C12H13I3N2O2 Melting Point 168-169ºC
MSDS N/A Flash Point 304.4ºC

 Names

Name 3-(3-{[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 2.31g/cm3
Boiling Point 579.8ºC at 760mmHg
Melting Point 168-169ºC
Molecular Formula C12H13I3N2O2
Molecular Weight 597.95700
Flash Point 304.4ºC
Exact Mass 597.81100
PSA 52.90000
LogP 3.73900
Index of Refraction 1.715

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW5160000
CHEMICAL NAME :
Hydrocinnamic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-
CAS REGISTRY NUMBER :
5587-89-3
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H13-I3-N2-O2
MOLECULAR WEIGHT :
597.97
WISWESSER LINE NOTATION :
QV2R BI DI FI CNU1N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1030 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Blood - other changes
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Blood - other changes
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969

 Safety Information

HS Code 2925290090

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2925290090
Summary 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

oragrafin
Ipodic acid
Iopdate
bilopten
3-<2.4.6-Triiod-3-dimethylaminomethylenamino-phenyl>-propionsaeure
Ipodat-saeure
bilimin acid
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