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| CAS No.: | 1459-93-4 |
|---|---|
| Name: | Dimethyl isophthalate |
| Molecular Structure: | |
|
|
|
| Formula: | C10H10O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | 1,3-Benzenedicarboxylicacid, dimethyl ester (9CI);Isophthalic acid, dimethyl ester (6CI,8CI);1,3-Di(methoxycarbonyl)benzene;Dimethyl 1,3-benzenedicarboxylate;Dimethyl m-phthalate;Methyl 3-carbomethoxybenzoate;Morflex 1129;NSC 15313; |
| EINECS: | 215-951-9 |
| Density: | 1.175 g/cm3 |
| Melting Point: | 64-68 °C |
| Boiling Point: | 285 °C at 760 mmHg |
| Flash Point: | 148 °C |
| Solubility: | insoluble in water |
| Appearance: | white to off-white flakes or crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 52.60000 |
| LogP: | 1.25980 |
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| Conditions | Yield |
|---|---|
| With boron trifluoride at 65℃; for 0.333333h; | 100% |
| With thionyl chloride at 20℃; for 72h; | 95.7% |
| With 4-methyl-morpholine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride for 3h; | 92% |
- 75-44-5
phosgene
- 121-91-5
isophthalic acid
A
- 1459-93-4
dimethyl Isophthalate
B
- 99-63-8
benzene-1,3-dicarbonyl dichloride
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane | A n/a B 100% |
- 1283160-97-3
dimethyl 5-pivaloxyisophthalate
- 1459-93-4
dimethyl Isophthalate
| Conditions | Yield |
|---|---|
| With bis(1,5-cyclooctadiene)nickel(0); (dimethoxy)methylsilane; tricyclohexylphosphine In toluene at 80℃; for 12h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| at 20℃; for 6h; UV-irradiation; | 99% |
- 51839-15-7
5-iodo-isophthalic acid dimethyl ester
- 1459-93-4
dimethyl Isophthalate
| Conditions | Yield |
|---|---|
| With Ac-Cys-OMe; bismuth(III) oxide; N-ethyl-N,N-diisopropylamine In dichloromethane for 48h; Irradiation; | 96% |
- 51760-21-5
dimethyl 5-bromoisophthalate
- 1459-93-4
dimethyl Isophthalate
| Conditions | Yield |
|---|---|
| With formic acid; tributyl-amine; 10-phenyl-10H-phenothiazine In acetonitrile at 20℃; for 24h; Inert atmosphere; UV-irradiation; | 94% |
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 141694-38-4
3-Fluorosulfonyloxy-benzoic acid methyl ester
- 1459-93-4
dimethyl Isophthalate
| Conditions | Yield |
|---|---|
| With triethylamine; palladium diacetate; 1,3-bis-(diphenylphosphino)propane In dimethyl sulfoxide under 760 Torr; a) room temperature, 15 min, b) 60 deg C, 2 h; | 92% |
| Conditions | Yield |
|---|---|
| With Oxone; indium(III) triflate for 1.5h; Reflux; | 92% |
| With Oxone at 60℃; for 0.666667h; Sonication; | 90% |
| Stage #1: methanol; Isophthalaldehyde With pyridine at 20℃; for 0.0833333h; Stage #2: With N-Bromosuccinimide at 20℃; for 9h; | 100 %Chromat. |
- 585524-77-2
3-(5,5-dimethyl-1,3,2-dioxaborinanyl)-1-methoxycarbonylbenzene
- 24424-99-5
di-tert-butyl dicarbonate
- 74-88-4
methyl iodide
- 1459-93-4
dimethyl Isophthalate
| Conditions | Yield |
|---|---|
| Stage #1: 3-(5,5-dimethyl-1,3,2-dioxaborinanyl)-1-methoxycarbonylbenzene; di-tert-butyl dicarbonate With 4,4'-dimethyl-2,2'-bipyridines; lithium methanolate; copper(l) chloride In N,N-dimethyl acetamide at 30℃; for 6h; Inert atmosphere; Schlenk technique; Stage #2: methyl iodide In N,N-dimethyl acetamide at 30℃; for 2h; Schlenk technique; | 91% |
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Chemistry
Molecular Structure of Isophthalic acid dimethyl ester (CAS NO.1459-93-4):
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Molecular Formula: C10H10O4
Molecular Weight: 194.184
IUPAC Name: Dimethyl benzene-1,3-dicarboxylate
Synonyms of Isophthalic acid dimethyl ester (CAS NO.1459-93-4): 1,3-Benzenedicarboxylic acid, dimethyl ester ; 4-09-00-03293 (Beilstein Handbook Reference) ; AI3-02247 ; BRN 1912251 ; Dimethyl 1,3-benzenedicarboxylate ; Dimethyl isophthalate ; Dimethyl m-phthalate ; Dimethylester kyseliny isoftalove ; Dimethylester kyseliny isoftalove [Czech] ; EINECS 215-951-9 ; HSDB 6138 ; Isophthalic acid dimethyl ester ; Methyl 3-(carbomethoxy)benzoate ; Methyl isophthalate ; Morflex 1129 ; NSC 15313 ; 1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester
CAS NO: 1459-93-4
Classification Code: Skin / Eye Irritant
Melting point: 64-68 °C
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.514
Molar Refractivity: 49.79 cm3
Molar Volume: 165.2 cm3
Surface Tension: 40.5 dyne/cm
Density of Isophthalic acid dimethyl ester (CAS NO.1459-93-4): 1.175 g/cm3
Flash Point: 148 °C
Enthalpy of Vaporization: 52.4 kJ/mol
Boiling Point: 285 °C at 760 mmHg
Vapour Pressure: 0.00288 mmHg at 25°C
Uses
Isophthalic acid dimethyl ester (CAS NO.1459-93-4) is synthesis of phthalates, as diphenyl-resistant polymer monomers PBT, other organic synthesis, for stationary liquid.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 971mg/kg (971mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes of Isophthalic acid dimethyl ester (CAS NO.1459-93-4): 
Xi
Risk Statements: 36
R36: Irritating to eyes.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: NT2540000
HS Code: 29173980
Hazardous Substances Data: 1459-93-4(Hazardous Substances Data)
Moderately toxic by intraperitoneal route. An eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.