ChemicalBook--->CAS DataBase List--->619-58-9

619-58-9

619-58-9 Structure

619-58-9 Structure
IdentificationMore
[Name]

4-Iodobenzoic acid
[CAS]

619-58-9
[Synonyms]

4-IODOBENZOIC ACID
BENZOIC ACID, 4-IODO-
P-IODOBENZOIC ACID
RARECHEM AL BO 0467
4-iodo-benzoicaci
4-Jodbenzoesaeure
Benzoic acid, p-iodo-
p-Iodobenzenecarboxylic acid
p-iodobenzenecarboxylicacid
p-iodo-benzoicaci
4-Iodobenzoic
4-IODOANILINE
[EINECS(EC#)]

210-603-2
[Molecular Formula]

C7H5IO2
[MDL Number]

MFCD00002533
[Molecular Weight]

248.02
[MOL File]

619-58-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white powder
[Melting point ]

270-273 °C(lit.)
[Boiling point ]

318.5±25.0 °C(Predicted)
[density ]

2,184 g/cm3
[Fp ]

>110℃
[storage temp. ]

Store at RT.
[solubility ]

0.04g/l
[form ]

Powder
[pka]

4.00(at 25℃)
[color ]

White to off-white
[Water Solubility ]

0.04 g/L (25 ºC)
[Sensitive ]

Light Sensitive
[BRN ]

1860232
[InChI]

1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
[InChIKey]

GHICCUXQJBDNRN-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(I)cc1
[CAS DataBase Reference]

619-58-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 4-iodo-(619-58-9)
[Storage Precautions]

Light sensitive;Heat sensitive
[EPA Substance Registry System]

619-58-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DH2976000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT, LIGHT SENSITIVE
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Aminobenzoic acid
[Preparation Products]

(4-Iodo-benzyl)-carbamic acid tert-butyl ester-->4-Iodobenzylamine-->4-Iodo-3-nitrobenzoic acid-->4-Iodobenzoyl chloride-->4-Butylbenzoic acid-->4-Carboxylphenylboronic acid pinacol ester-->2-(4-Iodobenzoyl)pyridine-->4-Iodo-N-methoxy-N-methyl-benzamide-->5-Iodo-2-thiophenecarboxaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Iodobenzoic acid(619-58-9).msds
Hazard InformationBack Directory
[Chemical Properties]

4-Iodobenzoic acid is white to off-white powder
[Uses]

4-Iodobenzoic acid was used in the synthesis of [hydroxy(4-carboxyphenyl)iodonium]ion in situ that helps in the cleavage of a variety of alkenes.
[Uses]

suzuki reaction
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 45, p. 2365, 1980 DOI: 10.1021/jo01300a020
[Purification Methods]

Crystallise the acid repeatedly from water and EtOH. Sublime it under vacuum at 100o. [Beilstein 9 IV 1035.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Iodobenzoic acid(619-58-9)MS
4-Iodobenzoic acid(619-58-9)1HNMR
4-Iodobenzoic acid(619-58-9)13CNMR
4-Iodobenzoic acid(619-58-9)IR1
4-Iodobenzoic acid(619-58-9)IR2
4-Iodobenzoic acid(619-58-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Iodobenzoic acid(619-58-9)
[Alfa Aesar]

4-Iodobenzoic acid, 97%(619-58-9)
[Sigma Aldrich]

619-58-9(sigmaaldrich)
[TCI AMERICA]

4-Iodobenzoic Acid,>98.0%(T)(619-58-9)
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