Heptadecanenitrile
Basic information
- CAS
5399-02-0- Standard SMILES
CCCCCCCCCCCCCCCCC#N- InChIKey
ZXPWFWWSCFIFII-UHFFFAOYSA-N- Molecular formula
- C17H33N
- Average molar mass
- 251.5 g/mol
- Monoisotopic mass
- 251.26130006
Overview
Heptadecanenitrile has been reported in Oryza sativa with data available.
Names & identifiers
- Preferred name
- Heptadecanenitrile
- IUPAC
- heptadecanenitrile
- English name
- N-HEPTADECANONITRILE
- Molecular formula
- C17H33N
- Molecular weight
- 251.45
Names & synonyms
HeptadecanenitrileHeptadecanonitrile5399-02-0Hexadecyl cyanideCetyl cyanide1-CyanohexadecaneMargaronitrileHeptadecanedinitrileNSC 3704EINECS 226-432-1Heptadecanoic acid nitrileAI3-07618
Show more names
1-cyanonhexadecaneN-HEXADECYL CYANIDE
DTXSID90873467RefChem:145622DTXCID208360226-432-1ZXPWFWWSCFIFII-UHFFFAOYSA-Nn-HeptadecanonitrileMFCD00042635heptadecannitril
Database identifiers
- CAS
5399-02-0、68002-65-3- PubChem CID
- 79388
- DTXSID
DTXSID90873467- EC Number
- 226-432-1
- Nikkaji
- J103.492H
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 34 °C · 34°C
- Boiling point
- 208 °C · 208 °C / 10mmHg
- Density
- 0.8315 · 0.8315
- refractive index
- 1.4467 · 1.4467
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- BRN
- 1775016 · 1775016
- InChI
- 1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3
- InChIKey
- ZXPWFWWSCFIFII-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCC#N
- EPA Substance Registry System
- Heptadecanenitrile (5399-02-0)
- UNSPSC Code
- 12352100 · 12352100
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 2926.90.5050
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptadecanenitrile: ACTIVE
Applications
UsesHeptadecanenitrile gets adsorbed on gold and copper surface from hexane or acetone solution and adsorbed layers are investigated by reflection infrared spectroscopy.
General DescriptionHeptadecanenitrile gets adsorbed on gold and copper surface from hexane or acetone solution and adsorbed layers are investigated by reflection infrared spectroscopy.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…