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| CAS No.: | 37441-29-5 |
|---|---|
| Name: | 5-Amino-2,4,6- triiodisophthaloyl acid dichloride |
| Molecular Structure: | |
|
|
|
| Formula: | C8H2Cl2I3NO2 |
| Molecular Weight: | 595.729 |
| 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; |
| EINECS: | 417-220-1 |
| Density: | 2.827 g/cm3 |
| Melting Point: | 231°C(lit.) |
| Boiling Point: | 566.853 °C at 760 mmHg |
| Flash Point: | 296.622 °C |
| Appearance: | slightly yellow powder |
| Hazard Symbols: |
 Xi,  N
|
| Risk Codes: | 43-51/53 |
| Safety: | 22-36/37-61 |
| PSA: | 60.16000 |
| LogP: | 4.42180 |
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- 35453-19-1
2,4,6-triiodo-5-aminoisophthalic acid
- 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride
| 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
B
- 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride
| 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 | Yield |
|---|---|
| 93% |
- 37441-29-5
5-amino-2,4,6-triiodoisophthalic acid dichloride
| 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 | 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 | 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 | 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 | 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 | 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 | 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% |
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Chemistry
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
Safety Profile
Hazard Codes: 
Xi
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
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