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Name	5-Amino-2,4,6- triiodisophthaloyl acid dichloride	EINECS	417-220-1
CAS No.	37441-29-5	Density	2.827 g/cm³
PSA	60.16000	LogP	4.42180
Solubility	N/A	Melting Point	231°C(lit.)
Formula	C₈H₂Cl₂I₃NO₂	Boiling Point	566.853 °C at 760 mmHg
Molecular Weight	595.729	Flash Point	296.622 °C
Transport Information	N/A	Appearance	slightly yellow powder
Safety	22-36/37-61	Risk Codes	43-51/53
Molecular Structure		Hazard Symbols	Xi, N
Synonyms	5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylicacid dichloride;5-Amino-2,4,6-triiodoisophthaloyl chloride;5-Amino-2,4,6-triiodoisophthaloyl dichloride;	Article Data	32

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Synthetic route

: 35453-19-1
2,4,6-triiodo-5-aminoisophthalic acid

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions

Conditions	Yield
With pyridine; thionyl chloride In 1,2-dichloro-ethane at 70 - 85℃; for 8.5h;	100%
With pyridine; thionyl chloride In 1,2-dichloro-ethane at 70 - 85℃; for 7.5 - 8h;	100%
With pyridine; thionyl chloride In 1,2-dichloro-ethane at 70 - 85℃; for 7.5 - 8h;	100%

: 35453-19-1
2,4,6-triiodo-5-aminoisophthalic acid

: 37091-73-9
2-chloro-1,3-dimethylimidazolinium chloride

A 5-amino-2,4,6-triodoisophthaloyl dichloride: 5-amino-2,4,6-triodoisophthaloyl dichloride

B: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions

Conditions	Yield
In hexane; toluene	A 95% B n/a

: 35453-19-1
2,4,6-triiodo-5-aminoisophthalic acid

: 37091-73-9
2-chloro-1,3-dimethylimidazolinium chloride

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions

Conditions	Yield
	93%

: 5-sulfinylamino-2,4,6-triiodoisophthalic acid chloride

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions

Conditions	Yield
With water In acetone for 26h;	85.5%

: 99-31-0
5-aminoisophthalic acid

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 73 percent / ICl; KCl / H2O / 24 h / 55 °C 2: 89.3 percent / SOCl2 / 6 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 74 percent / aq. potassium iododichloride / H2O / 18 h / 55 - 60 °C 2: 92 percent / thionyl chloride View Scheme

: 618-88-2
5-nitrobenzene-1,3-dicarboxylic acid

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: Iodine monochloride / 5 h / 70 °C / Inert atmosphere 2.1: phosphorus pentachloride / 0.67 h / 30 °C 2.2: 0.17 h View Scheme

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

: 13831-31-7
Acetoxyacetyl chloride

: 78314-12-2
2-((3,5-bis (chlorocarbonyl)-2,4,6-triiodophenyl)amino)-2-oxoethyl acetate

Conditions

Conditions	Yield
In water	99%
In N,N-dimethyl acetamide at 20℃; for 15h; Cooling;	92%
In tetrahydrofuran; n-heptane at 20℃; Product distribution / selectivity; Heating / reflux;	35%

: 75-36-5
acetyl chloride

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

: 31122-75-5
5-acetamido-2,4,6-triiodoisophthaloyl dichloride

Conditions

Conditions	Yield
In water	99%
In ISOPROPYLAMIDE at 0℃; for 12h;	81%
In N,N-dimethyl acetamide at 0 - 20℃; for 4h;	50%
In N,N-dimethyl acetamide at 20℃; Inert atmosphere; Cooling with ice;

: 108-24-7
acetic anhydride

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

: 31122-75-5
5-acetamido-2,4,6-triiodoisophthaloyl dichloride

Conditions

Conditions	Yield
sulfuric acid In acetonitrile Product distribution / selectivity;	97%
sulfuric acid for 1h; Product distribution / selectivity;	76%

: 383-70-0
TFA-Gly

: 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride

: 752253-20-6
2,4,6-triiodo-5-[2-(2,2,2-trifluoroacetylamino)-acetylamino]-isophthalic acid dichloride

Conditions

Conditions	Yield
Stage #1: TFA-Gly With thionyl chloride In ISOPROPYLAMIDE at 0℃; for 1h; Stage #2: 5-amino-2,4,6-triiodoisophthalic acid dichloride In ISOPROPYLAMIDE at 0 - 20℃; for 96h;	97%

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Chemical Properties

The Molecular Structure of 1,3-Benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo- (CAS NO.37441-29-5):

Empirical Formula: C₈H₂Cl₂I₃NO₂
Molecular Weight: 595.7264
Nominal Mass: 595 Da
Average Mass: 595.7264 Da
Monoisotopic Mass: 594.659639 Da
Index of Refraction: 1.795
Molar Refractivity: 89.698 cm³
Molar Volume: 210.748 cm³
Surface Tension: 78.65 dyne/cm
Density: 2.827 g/cm3
Flash Point: 296.622 °C
Enthalpy of Vaporization: 85.107 kJ/mol
Boiling Point: 566.853 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Safety Profile

Hazard Codes: Irritant Xi Dangerous N
Risk Statements: 43-51/53
R43: May cause sensitization by skin contact
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 22-36/37-61
S22: Do not breathe dust
S36/37: Wear suitable protective clothing and gloves
S61: Avoid release to the environment. Refer to special instructions / safety data sheets

5-Amino-2,4,6- triiodisophthaloyl acid dichloride Specification

1,3-Benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo- (CAS NO.37441-29-5) is also called as 5-amino-2,4,6-triodoisophthalolylchloride ; 5-amino-2,4,6- triiodisophthaloyl acid dichloride ; 5-amino-2,4,6-triiodo-isophtaloyl dichloride ; 5-amino-2,4,6-triiodoisophthaloyl dichloride ; 5-amino-2,4,6-triiodoiso phthaloyl chloride ; 5-amino-2,4,6-triiodisophthaloyl dichloride ; 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid dichloride ; 5-amino-2,4,6-triiodoisophthaloydichloride

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