Basic information
- Standard SMILES
CCCCCCCCCCCCI- InChIKey
GCDPERPXPREHJF-UHFFFAOYSA-N- Molecular formula
- C12H25I
- Average molar mass
- 296.23 g/mol
- Monoisotopic mass
- 296.1000988
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Iodododecane
- IUPAC
- 1-iodododecane
- English name
- 1-Iodododecane
- Molecular formula
- C12H25I
- Molecular weight
- 296.23
Names & synonyms
1-IODODODECANE4292-19-7Dodecane, 1-iodo-DTXSID1049302DTXCID3029158RefChem:76096224-293-1Dodecyl iodiden-Dodecyl iodideLauryl iodideN-IODODODECANEMFCD00001088
Show more names
1-iodo-dodecan12-IodododecaneDodecane,1-iodo-1-iodanyldodecane1-Iodododecane,98%
C12H25I1-iodo-dodecane1-Iodododecane, 98%NSC 9285EINECS 224-293-1GCDPERPXPREHJF-UHFFFAOYSA-STR02749NCGC00260380-01
Database identifiers
- CAS
4292-19-7- PubChem CID
- 20282
- DTXSID
DTXSID1049302- ChEMBL
CHEMBL3181940- EC Number
- 224-293-1
- Nikkaji
- J205.687I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 81.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -3 °C · -3 °C (lit.)
- Boiling point
- 159 · 159-160 °C/15 mmHg (lit.)
- Density
- 1.201 g/mL · 1.201 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.484(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- Specific Gravity
- 1.201 · 1.201
- color
- Clear colorless to pale yellow
- Water Solubility
- Insoluble
- Sensitive
- Light Sensitive
- BRN
- 1738943 · 1738943
- Dielectric constant
- 3.93 · 3.9300000000000002
- InChI
- 1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
- InChIKey
- GCDPERPXPREHJF-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCI
- CAS DataBase Reference
- 4292 · 4292-19-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Dodecane, 1-iodo-(4292-19-7)
- EPA Substance Registry System
- 1 · Dodecane, 1-iodo- (4292-19-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8-10
- TSCA
- TSCA listed
- HS Code
- 29033990 · 29033990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.9%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Dodecane, 1-iodo-
1-Iodododecane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Safety data
- F
- 8-10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecane, 1-iodo-: ACTIVE
Applications
Uses1-Iodododecane has been used in the preparation of dodecylated graphite, alkyl functionalized single walled carbon nanotubes (SWNTs). It is also used as chemical intermediate.
General DescriptionSmI2-mediated coupling of 1-iodododecane and 2-octanone in the presence of LiBr, LiCl and hexamethylphosphoramide (HMPA) has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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