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METHYL 4-IODOBENZOATE

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Name

METHYL 4-IODOBENZOATE

EINECS 210-597-1
CAS No. 619-44-3 Density 1.753 g/cm3
PSA 26.30000 LogP 2.07780
Solubility N/A Melting Point 113-117 °C
Formula C8H7IO2 Boiling Point 276.1 °C at 760 mmHg
Molecular Weight 262.047 Flash Point 120.8 °C
Transport Information UN 3082 Appearance beige to pale pink crystalline powder
Safety 37/39-26-61 Risk Codes 36/37/38-51/53
Molecular Structure Molecular Structure of 619-44-3 (Methyl 4-iodobenzoate) Hazard Symbols IrritantXi, DangerousN
Synonyms

Benzoicacid, p-iodo-, methyl ester (6CI,7CI,8CI);4-(Carbomethoxy)iodobenzene;4-(Methoxycarbonyl)-1-iodobenzene;4-(Methoxycarbonyl)iodobenzene;4-(Methoxycarbonyl)phenyl iodide;4-Iodobenzoic acid methyl ester;Methyl p-iodobenzoate;NSC 9393;p-(Methoxycarbonyl)phenyliodide;p-Iodobenzoic acid methyl ester;

Article Data 95

METHYL 4-IODOBENZOATE Synthetic route

67-56-1

methanol

619-58-9

4-iodobenzoic acid

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With acetyl chloride at 60℃; for 12h;100%
With sulfuric acid for 30h; Reflux;99%
With sulfuric acid Reflux;99%

sodium (¹²⁵I)iodide

91734-76-8

methyl 4-tri-n-butylstannylbenzoate

7681-82-5

sodium iodide

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With N-chloro-succinimide In methanol; acetic acid to a soln. of Sn-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (10% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 20 min; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield;98%
With N-chloro-succinimide In methanol; acetic acid to a soln. of Sn-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield;98%

4-(Pyrrolidin-1-ylazo)-benzoic acid methyl ester

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With iodine In various solvent(s) at 100℃; for 9h;97%
77726-96-6

methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate

74-88-4

methyl iodide

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
at 110 - 120℃; for 6h;97%
67-56-1

methanol

15164-44-0

p-(iodophenyl)carboxaldehyde

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With dihydrogen peroxide at 20℃; for 20h;97%
With oxygen; potassium carbonate at 65℃; for 3h; Catalytic behavior;82 %Chromat.

sodium (¹²⁵I)iodide

7681-82-5

sodium iodide

99768-12-4

4-methoxycarbonylphenylboronic acid

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of two equivalents of NCS in MeOH, the mixture was stirred at 25°C for 24 h; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield;96%
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 20 h; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield;70%
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 3 h; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield;60%
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (10% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 20 min; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield;>99
67-56-1

methanol

1314659-41-0

4-iodo-N,N-bis(pyridin-2-ylmethyl)benzamide

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With copper(II) bis(trifluoromethanesulfonate) at 20℃; for 16h;96%
67-56-1

methanol

C10H7IN2O3

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With triethylamine at 100℃; for 24h; Inert atmosphere;96%
75-77-4

chloro-trimethyl-silane

619-58-9

4-iodobenzoic acid

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
In methanol at 20℃;95%
67-56-1

methanol

1711-02-0

4-iodobenzoic acid chloride

619-44-3

methyl 4-iodobenzoate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 0.5h;93%
Stage #1: 4-iodobenzoic acid chloride With pyridine In dichloromethane at 20℃; for 16h;
Stage #2: With pyridinium p-toluenesulfonate In toluene at 50℃; for 16h;
Stage #3: methanol With sodium amide In tetrahydrofuran for 0.5h; Further stages.;

METHYL 4-IODOBENZOATE Chemical Properties

Molecular Formula: C8H7IO2
Formula Weight: 262.04 
Synonyms:
Iodobenzoicacidmethylester, 4-p-(Methoxycarbonyl)phenyl iodide, 4-(Carbomethoxy)iodobenzene, 4-(Methoxycarbonyl)phenyl iodide, METHYL 4-IODOBENZENECARBOXYLATE, METHYL 4-IODOBENZOATE 
Melting point: 113-117 °
Flash Point: 120.8 °
Boiling Point: 276.1 °C at 760 mmHg
Density of METHYL 4-IODOBENZOATE (619-44-3): 1.753 g/cm
Vapour Pressure: 0.00491 mmHg at 25°C
Index of Refraction: 1.597 
Form of METHYL 4-IODOBENZOATE (619-44-3): Crystalline

METHYL 4-IODOBENZOATE Safety Profile

Safety: WARNING: Irritates lungs, eyes, skin
Hazard Codes : Xi: Irritant; N: Dangerous for the environment
Risk Statements : 36/37/38: Irritating to eyes, respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements : 37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR : UN 3082

METHYL 4-IODOBENZOATE Specification

Storage: Store in cool, dry conditions in well sealed containers. Store away from oxidizing agents.
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