CAS 5587-89-3|3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid

Introduction:Basic information about CAS 5587-89-3|3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid
CAS Number5587-89-3Molecular Weight597.95700
Density2.31g/cm3Boiling Point579.8ºC at 760mmHg
Molecular FormulaC12H13I3N2O2Melting Point168-169ºC
MSDS/Flash Point304.4ºC

Names

Name3-(3-{[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid hydrochloride
SynonymMore Synonyms

Chemical & Physical Properties

Density2.31g/cm3
Boiling Point579.8ºC at 760mmHg
Melting Point168-169ºC
Molecular FormulaC12H13I3N2O2
Molecular Weight597.95700
Flash Point304.4ºC
Exact Mass597.81100
PSA52.90000
LogP3.73900
Index of Refraction1.715
InChIKeyYQNFBOJPTAXAKV-UHFFFAOYSA-N
SMILESCN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I

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 Code2925290090

Customs

HS Code2925290090
Summary2925290090 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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