ChemicalBook--->CAS DataBase List--->88-67-5

88-67-5

88-67-5 Structure

88-67-5 Structure
IdentificationMore
[Name]

2-Iodobenzoic acid
[CAS]

88-67-5
[Synonyms]

2-IODOBENZOIC ACID
2-IODO BENZONIC ACID
BENZOIC ACID, 2-IODO-
IODOBENZOIC-2 ACID
'LGC' (4009)
O-IODOBENZOIC ACID
RARECHEM AL BO 0686
2-iodo-benzoicaci
Benzoic acid, o-iodo-
Kyselina o-jodbenzoova
kyselinao-jodbenzoova
o-iodo-benzoicaci
o-lodobenzoicacid
USAF ek-572
usafek-572
ACID O-IODOBENZOIC
o-Iodobenzoic Acid 2-Iodobenzoic acid
2-IODOBENZOIC ACID, SUBLIMED, 99+%
IodobenzoicAcid
2-Iodobenzoic acid, 98+%
[EINECS(EC#)]

201-850-7
[Molecular Formula]

C7H5IO2
[MDL Number]

MFCD00002419
[Molecular Weight]

248.02
[MOL File]

88-67-5.mol
Chemical PropertiesBack Directory
[Appearance]

white crystal powder
[Melting point ]

160-162 °C(lit.)
[Boiling point ]

313.9±25.0 °C(Predicted)
[density ]

2.25
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Soluble in dimethyl sulfoxide and methanol
[form ]

Powder, Crystals or Flakes
[pka]

2.85(at 25℃)
[color ]

Light yellow to orange-brown
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong bases.
[Water Solubility ]

sparingly soluble
[Sensitive ]

Light Sensitive
[Detection Methods]

HPLC,NMR,T
[Merck ]

14,5030
[BRN ]

1861406
[InChI]

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

CJNZAXGUTKBIHP-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccccc1I
[CAS DataBase Reference]

88-67-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2-iodo-(88-67-5)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

88-67-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DH2975000
[Hazard Note ]

Irritant
[TSCA ]

T
[REACH Registrations]

Inactive
[HazardClass ]

IRRITANT, LIGHT SENSITIVE
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Anthranilic acid-->2-Iodobenzoic acid phenacyl ester-->Benzenediazonium, 2-iodo-, tetrafluoroborate(1-)-->2-Iodobenzyl alcohol-->2-IODOBENZALDEHYDE-->2-IODOSTYRENE-->t-Butyl2-iodobenzoate-->Methyl 2-iodobenzoate
[Preparation Products]

Flufenamic acid-->2-Ethoxycarbonylphenylboronic acid pinacol ester-->2-Iodoxybenzoic acid-->Dess-Martin periodinane-->2'-IODOHIPPURIC ACID-->2-IODOBENZOYL CHLORIDE-->1-Hydroxy-2-oxa-1-ioda(III)indan-3-one-->1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent-->Methyl 2-(2-iodophenyl)acetate-->N-(2-AMINO-4-CHLOROPHENYL)ANTHRANILIC ACID-->5-Bromo-2-iodobenzoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Iodobenzoic acid(88-67-5).msds
Hazard InformationBack Directory
[Description]

2-iodobenzoic acid and its derivatives are important pharmaceutical and chemical raw materials, which are necessary for the synthesis of various high-iodine reagents. It is commonly used as a precursor for the synthesis of 2-Iodoxybenzoic acid (IBX) and Dess-Martin peridinane, which are used as mild oxidants. It is also used in Suziki reaction.
[Chemical Properties]

white crystal powder
[Uses]

suzuki reaction
[Application]

2-Iodobenzoic acid can be used as a reactant in the synthesis of oligo(m-phenylene ethynylenes), (±)-lycoricidine and various detoxifiers of organophosphorus nerve agents. Additionally, it is used as a precursor in the preparation of oxidizing reagents like 2-iodoxybenzoic acid (IBX) and Dess-Martin periodinane (DMP).
[Definition]

ChEBI: An iodobenzoic acid with a single iodo substituent placed at the 2-position.
[Preparation]

2-Iodobenzoic acid is obtained from Anthranilic acid by diazotization and substitution. Diazotization of Anthranilic acid with sodium nitrite in the presence of sulfuric acid, control the temperature below 10℃, filter the diazotization solution, add the mixture of potassium iodide and sulfuric acid, stir for 10min after addition, and boil. Filter, wash with sodium thiosulfate solution, 2-Iodobenzoic acid can be recrystallized from water.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 93, p. 4841, 1971 DOI: 10.1021/ja00748a029
[Purification Methods]

Crystallise the acid repeatedly from water and EtOH. Sublime it under vacuum at 100o. [Beilstein 9 IV 1030.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Iodobenzoic acid(88-67-5)MS
2-Iodobenzoic acid(88-67-5)1HNMR
2-Iodobenzoic acid(88-67-5)13CNMR
2-Iodobenzoic acid(88-67-5)IR1
2-Iodobenzoic acid(88-67-5)IR2
2-Iodobenzoic acid(88-67-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Iodobenzoic acid, 98%(88-67-5)
[Alfa Aesar]

2-Iodobenzoic acid, 98+%(88-67-5)
[Sigma Aldrich]

88-67-5(sigmaaldrich)
[TCI AMERICA]

2-Iodobenzoic Acid,>98.0%(GC)(T)(88-67-5)
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