Basic information
- CAS
5159-41-1- Standard SMILES
OCc1ccccc1I- InChIKey
WZCXOBMFBKSSFA-UHFFFAOYSA-N- Molecular formula
- C7H7IO
- Average molar mass
- 234.03 g/mol
- Monoisotopic mass
- 233.95416284
Names & identifiers
- Preferred name
- 2-Iodobenzylic alcohol
- IUPAC
- (2-iodophenyl)methanol
- English name
- 2-Iodobenzyl alcohol
- Molecular formula
- C7H7IO
- Molecular weight
- 234.03
Names & synonyms
2-Iodobenzyl alcohol5159-41-1o-Iodobenzyl alcoholBenzenemethanol, 2-iodo-2-Iodobenzylic alcohol2-IODOPHENYLMETHANOL2-IODOBENZENEMETHANOLHV7V53CV5YEINECS 225-933-2DTXSID601995402-(HYDROXYMETHYL)IODOBENZENE1-HYDROXYMETHYL-2-IODOBENZENE
Show more names
2-IodobenzyL2-iodobenzenolRARECHEM AL BD 05622-Iodobenzenemethanol.o-Iodobenzoyl Alcohol2-IodobenzylAlcohol>
2-(HYDROXYMETHYL)-1-IODOBENZENE2Iodobenzylic alcoholBenzenemethanol, 2iodoRefChem:473775DTXCID20122031225-933-2(2-Iodophenyl)methanol2-Iodobenzylalcohol
Database identifiers
- CAS
5159-41-1- PubChem CID
- 107629
- DTXSID
DTXSID60199540- UNII
- HV7V53CV5Y
- EC Number
- 225-933-2
- Nikkaji
- J149.902E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Alcohols
LogP2.43
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 89 · 89-92 °C (lit.)
- Boiling point
- 145 °C/10mmHg · 145°C/10mmHg(lit.)
- Density
- 1.7904 · 1.7904 (estimate)
- refractive index
- 1.6349 · 1.6349
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Needle-Like Powder
- pka
- 14.01 · 14.01±0.10(Predicted)
- color
- White to yellow or pinkish
- Water Solubility
- Insoluble in water.
- Sensitive
- Light Sensitive
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Applications
Uses2-Iodobenzyl alcohol was used in the synthesis of: substituted seven-membered lactones2-[(E)-(1′-iodo-2′-propenyl)]benzyl alcohol2,3-diphenyl-1-indenone
Uses2-Iodobenzyl alcohol was used in the synthesis of substituted seven-membered lactones, 2-[(E)-(1-iodo-2-propenyl)]benzyl alcohol2 and 2,3-diphenyl-1-indenone.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
63 records
Compound notes
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