B-(2-Iodo-5-methoxyphenyl)boronic acid
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Basic information
- CAS
89694-50-8- Standard SMILES
COc1ccc(I)c(B(O)O)c1- InChIKey
XQYAEIDOJUNIGY-UHFFFAOYSA-N- Molecular formula
- C7H8BIO3
- Average molar mass
- 277.85 g/mol
- Monoisotopic mass
- 277.96112
Names & identifiers
- Preferred name
- B-(2-Iodo-5-methoxyphenyl)boronic acid
- IUPAC
- (2-iodo-5-methoxyphenyl)boronic acid
- English name
- (2-Iodo-5-methoxyphenyl)boronic acid
- Molecular formula
- C7H8BIO3
- Molecular weight
- 277.85209
Names & synonyms
(2-iodo-5-methoxyphenyl)boronic acid89694-50-8DTXSID801281736B-(2-Iodo-5-methoxyphenyl)boronic acidRefChem:560659DTXCID301712182806-783-22-Iodo-5-methoxyphenylboronic acidMFCD26793796(2-iodo-5-methoxy-phenyl)boronic acid5-Methoxy-2-iodophenylboronic acidMIBA
Show more names
2-Iodo-5-methoxyphenylboronic
SCHEMBL9935773MIBA, 96%XQYAEIDOJUNIGY-UHFFFAOYSA-N(2-iodo-5-methoxyphenyl)boronicacidAKOS025392343AS-27282-IODO-5-METHOXYPHENYLBORONICACIDSY040731
Database identifiers
- CAS
89694-50-8- PubChem CID
- 67973113
- DTXSID
DTXSID801281736- EC Number
- 806-783-2
- Nikkaji
- J2.843.726I
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 202 · 202-207°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- InChI
- 1S/C7H8BIO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
- InChIKey
- XQYAEIDOJUNIGY-UHFFFAOYSA-N
- SMILES
- OB(O)C1=C(I)C=CC(OC)=C1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 6 · NA.06
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 2932190090 · 2932190090
- Storage Class
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(2-Iodo-5-methoxyphenyl)boronic Acid is a catalyst in amidation of carboxylic acids by amines.
UsesMIBA can be used to promote direct amidations of carboxylic acids and amines in catalytic amounts. This technology avoids the requirement of preactivation of the carboxylic acid or use of coupling reagents.
General DescriptionThis product has been enhanced for catalysis.
Upstream & downstream products
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Related reactions
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