1-Iodonaphthalene
Basic information
- CAS
90-14-2- Standard SMILES
Ic1cccc2ccccc12- InChIKey
NHPPIJMARIVBGU-UHFFFAOYSA-N- Molecular formula
- C10H7I
- Average molar mass
- 254.07 g/mol
- Monoisotopic mass
- 253.95924822
Names & identifiers
- Preferred name
- 1-Iodonaphthalene
- IUPAC
- 1-iodonaphthalene
- English name
- 1-Iodonaphthalene
- Molecular formula
- C10H7I
- Molecular weight
- 254.07
Names & synonyms
1-IODONAPHTHALENENaphthalene, 1-iodo-IodonaphthaleneEINECS 201-968-9NSC 9275DTXSID30590041Naphthyl iodidealphaIodonaphthaleneNaphthalene, 1iodoRefChem:76100DTXCID0048686201-968-9
Show more names
1-IodonaphthaLa-Jodnnphthalin1-Naphtyl iodide1-Iodonapthalene1-iodo-naphthalen1-lodonaphthalene
InChI=1/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7NHPPIJMARIVBGU-UHFFFAOYSA-N90-14-21-Naphthyl iodide1-Iodonaphthalenenalpha-Iodonaphthalene1-Iodo-naphthaleneMFCD00003876
Database identifiers
- CAS
90-14-2- PubChem CID
- 7004
- DTXSID
DTXSID3059004- UNII
- T9FTE2K5Q5
- EC Number
- 201-968-9
- Nikkaji
- J43.524D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.000894 [mmHg]
Physical DescriptionLiquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 4 °C · 4°C
- Boiling point
- 163 · 163-165 °C/15 mmHg (lit.)
- Density
- 1.74 g/mL · 1.74 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.701(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 0.007 g/l · 0.007g/l
- form
- liquid (clear)
- color
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29036990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemistry & industry
Uses & manufacturing
UsesUsed in organic syntheses; [REPROTOX]
General Manufacturing InformationNaphthalene, 1-iodo-: ACTIVE
Applications
Uses1-Iodonaphthalene undergoes Pd catalyzed cross-coupling reaction (Stille reaction) with 2,4-dimethoxy-6-(trimethylstannyl)pyrimidine to afford 2,4-dimethoxy-6-(naphthalen-1-yl)pyrimidine.
General DescriptionUltrafast relaxation of 1-iodonaphthalene has been studied by time-resolved femtosecond pump-probe mass spectrometry. 1-Iodonaphthalene undergoes Pd catalyzed cross-coupling reaction (Stille reaction) with 2,4-dimethoxy-6-(trimethylstannyl)pyrimidine to afford 2,4-dimethoxy-6-(naphthalen-1-yl)pyrimidine.
Upstream & downstream products
Upstream raw materials
Related reactions
55 records
Compound notes
Loading…