CAS No.96-83-3,Iopanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96-83-3
Name:	Iopanoic acid

Formula:	C₁₁H₁₂I₃NO₂
Molecular Weight:	570.935
Synonyms:	Hydrocinnamicacid, 3-amino-a-ethyl-2,4,6-triiodo-(6CI,7CI,8CI);2-(3-Amino-2,4,6-triiodobenzyl)butyric acid;3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid;3-Amino-a-ethyl-2,4,6-triiodohydrocinnamicacid;Bilijodon;Cholevid;Colepax;Copanoic;Iodopanoic acid;Iopagnost;Iopanoicum;NSC41706;a-Ethyl-b-(3-amino-2,4,6-triiodophenyl)propionicacid;
EINECS:	202-539-9
Density:	2.427 g/cm³
Melting Point:	153 °C
Boiling Point:	529.058 °C at 760 mmHg
Flash Point:	273.765 °C
Solubility:	348.3mg/L(37 oC)
Risk Codes:	20/21/22
Safety:	22-26-36/37/39
PSA:	63.32000
LogP:	4.31710

Synthetic route

: 16623-25-9
2-(3-amino-benzyl)-butyric acid

: 96-83-3
iopanoic acid

Conditions

Conditions	Yield
With hydrogenchloride; Iodine monochloride

: 5253-02-1
2-(3-Nitro-benzyliden)-buttersaeure

: 96-83-3
iopanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Raney nickel; sodium hydroxide; diethyl ether / Hydrogenation 2: iodine monochloride; aqueous hydrochloric acid View Scheme

: 53-43-0
dehydroepiandrosterone

: 96-83-3
iopanoic acid

: 83172-20-7
dehydroepiandrosterone iopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	98%

: 96-83-3
iopanoic acid

: 79-04-9
chloroacetyl chloride

: 80980-80-9
3-<(chloroacetyl)amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
With ISOPROPYLAMIDE for 0.5h; Ambient temperature;	95%
With hydrogenchloride; sodium hydroxide In water; 2,4-dichlorophenoxyacetic acid dimethylamine	95.3%

: 57-88-5
cholesterol

: 96-83-3
iopanoic acid

: 83172-18-3
cholesteryl iopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	95%
With sodium hydride; 1,1'-carbonyldiimidazole 1) THF, reflux, 10 min; 2) THF, room temperature, 1 h; Yield given. Multistep reaction;

: 145-13-1
Pregnenolone

: 96-83-3
iopanoic acid

: 83172-19-4
pregnenolone iopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	93%

: 62147-49-3
1,3-dihydroxyacetone dimer

: 96-83-3
iopanoic acid

: 103959-66-6
1,3-dihydroxypropan-2-one 1,3-diiopanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 66h;	85%

: 64-17-5
ethanol

: 96-83-3
iopanoic acid

: 100850-30-4
(+/-)-iopanoic acid ethyl ester

Conditions

Conditions	Yield
With thionyl chloride for 3h; Heating;	82.4%

: 79-37-8
oxalyl dichloride

: 61435-75-4
6-<(chloroacetyl)amino>hexanoic acid

: 96-83-3
iopanoic acid

: 160982-41-2
3-<<6-<(chloroacetyl)amino>-1-oxohexyl>amino>-α-ethyl-2,4,6-triiodobenzenepropanoic acid

Conditions

Conditions	Yield
With pyridine; hydrogenchloride In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile	79%

...Expand

: 96-83-3
iopanoic acid

: 69256-58-2
1-palmitoyl-3-O-trityl-rac-glycerol

: 1-palmitoyl-2-iopanoyl-3-O-trityl-rac-glycerol

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	60%

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Chemistry

IUPAC Name: 2-[(3-Amino-2,4,6-triiodo-phenyl)methyl]butanoic acid
CAS: 96-83-3
EINECS: 202-539-9
Product Categories:
Following is the Molecular Structure of Iopanoic acid (96-83-3):

SMILES: Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC
InChI: InChI=1/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey: OIRFJRBSRORBCM-UHFFFAOYAN
Std.InChI: InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
Std.InChIKey: OIRFJRBSRORBCM-UHFFFAOYSA-N
Molecular Formula: C₁₁H₁₂I₃NO₂
Molecular Weight: 570.93
Melting Point: 153℃
Boiling Point: 529.1℃ at 760mmHg
Flash Point: 273.8℃
Molar Volume: 235.2cm³
Density: 2.426g/cm³
Index of Refraction: 1.732
Molar Refractivity: 94.18cm³
Surface Tension: 67.7dyne/cm
Polarizability: 37.33 10^-24cm³
Enthalpy of Vaporization: 84.63kJ/mol
Vapour Pressure: 5.06E-12mmHg at 25℃

Uses

Iopanoic acid (96-83-3) can be used for the medication.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	86mg/kg/1W-I (86mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Archives of Dermatology. Vol. 123, Pg. 387, 1987.
mouse	LD50	intraperitoneal	1230mg/kg (1230mg/kg)		Drugs in Japan Vol. -, Pg. 103, 1990.
mouse	LD50	intravenous	320mg/kg (320mg/kg)		Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
mouse	LD50	oral	6600mg/kg (6600mg/kg)		Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
rat	LD50	intraperitoneal	1520mg/kg (1520mg/kg)		Drugs in Japan Vol. -, Pg. 103, 1990.
rat	LD50	intravenous	280mg/kg (280mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
rat	LD50	oral	1540mg/kg (1540mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
women	TDLo	oral	60mg/kg (60mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: THROMBOCYTOPENIA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Clinical Toxicology. Vol. 18, Pg. 221, 1981.

Safety Profile

Risk Statements: 20/21/22
R20: Harmful by inhalation.
R21: Harmful in contact with skin.
R22: Harmful if swallowed.
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RTECS: NW5075000
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Human systemic effects by ingestion: dermatitis, nausea or vomiting, thrombocytopenia. Experimental reproductive effects.

Specification

Iopanoic acid (96-83-3),which also can be called for 3-Amino-alpha-ethyl-2,4,6-triiodo-benzenepropanoicaci ; 3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoicacid ; 3-Amino-alpha-ethyl-2,4,6-triiodo-hydrocinnamicaci ; 3-Amino-ethyl-2,4,6-triiodobenaenepropanoicacid ; 3-Amino-ethyl-2,4,6-triiodohydrocinnamicacid ; Beta-(3-amino-2,4,6-triiodophenyl)-alpha-ethylpropionicacid ; Bilijodon ; Choladine .When Iopanoic acid (96-83-3) was heated,it emits toxic fumes of I− and NOx .This chemical is insoluble in water.