Undecane, 1-iodo-
Basic information
- CAS
4282-44-4- Standard SMILES
CCCCCCCCCCCI- InChIKey
FKUQOQPBCHJHAP-UHFFFAOYSA-N- Molecular formula
- C11H23I
- Average molar mass
- 282.2 g/mol
- Monoisotopic mass
- 282.08445
Names & identifiers
- Preferred name
- Undecane, 1-iodo-
- IUPAC
- 1-iodoundecane
- English name
- 1-Iodoundecane
- Molecular formula
- C11H23I
- Molecular weight
- 282.2
Names & synonyms
1-IODOUNDECANE4282-44-4Undecane, 1-iodo-undecyl iodideAI3-23975DTXSID7063394RefChem:901036DTXCID1040168610-064-7iodoundecaneMFCD00001087C11H23I
Show more names
1-iodo-undecan1-IodoundecanolN-UNDECYL IODIDE1-Iodoundecane,99%1-Iodoundecane,98%##DISCONTINUED## 1-Iodoundecane, 98%1-IODOUNDECANE, STABILIZED WITH COPPER
1-iodo-n-undecane1-iodo-undecane1-Iodoundecane, 98%SCHEMBL1377708SCHEMBL9770195MSK165766SBB061359AKOS015912906
Database identifiers
- CAS
4282-44-4- PubChem CID
- 20276
- DTXSID
DTXSID7063394- EC Number
- 610-064-7
- Nikkaji
- J421.717I
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 71.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 2 °C · 2°C
- Boiling point
- 125 · 125-130 °C5 mm Hg(lit.)
- Density
- 1.22 g/mL · 1.22 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4849(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- color
- Clear, colourless
- Sensitive
- Light Sensitive
- BRN
- 1735991 · 1735991
- InChI
- 1S/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
- InChIKey
- FKUQOQPBCHJHAP-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCI
- CAS DataBase Reference
- 4282 · 4282-44-4(CAS DataBase Reference)
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 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2903398000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- 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
Uses & manufacturing
General Manufacturing InformationUndecane, 1-iodo-: INACTIVE
Applications
Uses1-Iodoundecane (cas# 4282-44-4) is a compound useful in organic synthesis.
General Description1-Iodoundecane is one of the volatile constituent of urine of a normal male mice. The reaction of 1-iodoundecane with fluoride sources has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
5 records
Compound notes
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