CAS No.619-44-3,Methyl 4-iodobenzoate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	619-44-3
Name:	Methyl 4-iodobenzoate
Article Data:	95

Formula:	C₈H₇IO₂
Molecular Weight:	262.047
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;
EINECS:	210-597-1
Density:	1.753 g/cm³
Melting Point:	113-117 °C
Boiling Point:	276.1 °C at 760 mmHg
Flash Point:	120.8 °C
Appearance:	beige to pale pink crystalline powder
Hazard Symbols:	Xi， N
Risk Codes:	36/37/38-51/53
Safety:	37/39-26-61
Transport Information:	UN 3082
PSA:	26.30000
LogP:	2.07780

Synthetic route

: 67-56-1
methanol

: 619-58-9
4-iodobenzoic acid

: 619-44-3
methyl 4-iodobenzoate

Conditions

Conditions	Yield
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

Conditions	Yield
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%

Yield

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%

...Expand

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

: 619-44-3
methyl 4-iodobenzoate

Conditions

Conditions	Yield
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

Conditions	Yield
at 110 - 120℃; for 6h;	97%

: 67-56-1
methanol

: 15164-44-0
p-(iodophenyl)carboxaldehyde

: 619-44-3
methyl 4-iodobenzoate

Conditions

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 67-56-1
methanol

: 1314659-41-0
4-iodo-N,N-bis(pyridin-2-ylmethyl)benzamide

: 619-44-3
methyl 4-iodobenzoate

Conditions

Conditions	Yield
With copper(II) bis(trifluoromethanesulfonate) at 20℃; for 16h;	96%

: 67-56-1
methanol

: C10H7IN2O3

: 619-44-3
methyl 4-iodobenzoate

Conditions

Conditions	Yield
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

Conditions	Yield
In methanol at 20℃;	95%

: 67-56-1
methanol

: 1711-02-0
4-iodobenzoic acid chloride

: 619-44-3
methyl 4-iodobenzoate

Conditions

Conditions	Yield
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.;

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Chemistry

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 ^°C
Flash Point: 120.8^°C
Boiling Point: 276.1 ^°C at 760 mmHg
Density of METHYL 4-IODOBENZOATE (619-44-3): 1.753 g/cm³
Vapour Pressure: 0.00491 mmHg at 25^°C
Index of Refraction: 1.597
Form of METHYL 4-IODOBENZOATE (619-44-3): Crystalline

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

Specification

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