Basic information
- CAS
696-41-3- Standard SMILES
O=Cc1cccc(I)c1- InChIKey
RZODAQZAFOBFLS-UHFFFAOYSA-N- Molecular formula
- C7H5IO
- Average molar mass
- 232.02 g/mol
- Monoisotopic mass
- 231.93851
Names & identifiers
- Preferred name
- 3-Iodobenzaldehyde
- IUPAC
- 3-iodobenzaldehyde
- English name
- 3-Iodobenzaldehyde
- Molecular formula
- C7H5IO
- Molecular weight
- 232.02
Names & synonyms
3-IodobenzaldehydeDTXSID80291292RefChem:502754DTXCID30242436626-706-4696-41-33-Iodo-benzaldehydeMFCD00039573Benzaldehyde, 3-iodo-m-JodbenzaldehydNSC746943-iodo benzaldehyde
Show more names
m-Iodobenzaldehyde3-Iodobenzaldehyde>1-Formyl-3-iodobenzene3-Iodobenzaldehyde 99%13C6]-3-Iodobenzaldehyde3-IODOBENZALDEHYDE, 99+%
3-Iodobenzaldehyde, 97%SCHEMBL97068SCHEMBL97069SCHEMBL29794189NSC-74694SBB064701STK788481AKOS000478333
Database identifiers
- CAS
696-41-3- PubChem CID
- 252610
- DTXSID
DTXSID80291292- EC Number
- 626-706-4
- Nikkaji
- J533.349K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 57 · 57-60 °C (lit.)
- Boiling point
- 124 · 124-125°C 13mm
- Density
- 1.8576 · 1.8576 (estimate)
- Flash point
- 124 · 124-125°C/13mm
- storage temp.
- 2 · 2-8°C
- form
- Crystalline Powder, Crystals or Needles
- color
- White to pale yellow
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air & Light Sensitive
- BRN
- 1854653 · 1854653
- InChI
- 1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H
- InChIKey
- RZODAQZAFOBFLS-UHFFFAOYSA-N
- SMILES
- Ic1cccc(C=O)c1
- CAS DataBase Reference
- 696 · 696-41-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- IRRITANT, AIR SENSITIVE, KEEP COLD
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Iodobenzaldehyde is used as an organic reagent.
General Description3-Iodobenzaldehyde can be prepared by the iodination of benzaldehyde using 1,3-diiodo-5,5-dimethylhydantoin in sulfuric acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
61 records
Compound notes
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