Basic information
- Standard SMILES
OCc1ccc(I)cc1- InChIKey
CNQRHSZYVFYOIE-UHFFFAOYSA-N- Molecular formula
- C7H7IO
- Average molar mass
- 234.03 g/mol
- Monoisotopic mass
- 233.95416284
Names & identifiers
- Preferred name
- 4-Iodobenzyl alcohol
- IUPAC
- (4-iodophenyl)methanol
- English name
- 4-Iodobenzyl alcohol
- Molecular formula
- C7H7IO
- Molecular weight
- 234.03
Names & synonyms
4-Iodobenzyl alcohol(4-iodophenyl)methanol18282-51-4Benzenemethanol, 4-iodo-p-Iodobenzyl alcoholBENZYL ALCOHOL, p-IODO-4-IodobenzylalcoholMFCD017327204-iodobenzenemethanolBRN 19316211-Iodo-4-(hydroxymethyl)benzenep-iodobenzylalcohol
Show more names
4-IodobenzyLRARECHEM AL BD 07104-iodobenzyl alcoho4-Iodobenzyl Alcohol >
p-iodo-benzylalcoho4-iodobenzyl-alcohol4-iodo-benzenemethanop-lodo-benzyl alcohol4-Iodo-benzyl alcohol4-Iodobenzyl alcohol 97%(4-iodophenyl)methan-1-ol4-Iodobenzyl alcohol, 97%
Database identifiers
- CAS
18282-51-4- PubChem CID
- 29012
- DTXSID
DTXSID90171339- EC Number
- 627-655-0
- Nikkaji
- J69.041D
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 77
Physicochemical properties
- Melting point
- 72 · 72-75 °C (lit.)
- Boiling point
- 136 °C/5mmHg · 136°C/5mmHg(lit.)
- Density
- 1.867 · 1.867±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 14.16 · 14.16±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to pale yellow
- Sensitive
- Light Sensitive
- BRN
- 1931621 · 1931621
- InChI
- InChI=1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
- InChIKey
- CNQRHSZYVFYOIE-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=C(I)C=C1
- CAS DataBase Reference
- 18282 · 18282-51-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 8318020 · DO8318020
- HS Code
- 29062990 · 29062990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DO8318020
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
Uses4-Iodobenzyl alcohol may be used in the preparation of:S-(4-Iodobenzyl) thioacetateS-(4-iodobenzyl) thiobenzoatefatty acid 4-iodobenzyl esters (FAIBEs)(4-trimethylsilylethynylphenyl)methanol
General Description4-Iodobenzyl alcohol is a benzyl alcohol derivative.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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