1H-Imidazole, 2-heptadecyl-
Basic information
- CAS
23328-87-2- Standard SMILES
CCCCCCCCCCCCCCCCCc1ncc[nH]1- InChIKey
YTWBFUCJVWKCCK-UHFFFAOYSA-N- Molecular formula
- C20H38N2
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.30349922
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-heptadecyl-
- IUPAC
- 2-heptadecyl-1H-imidazole
- English name
- 2-Heptadecylimidazole
- Molecular formula
- C20H38N2
- Molecular weight
- 306.53
Names & synonyms
2-Heptadecylimidazole2-Heptadecyl-1H-imidazole1H-Imidazole, 2-heptadecyl-EINECS 245-589-72-n-heptadecylimidazoleDTXSID0066878RefChem:79767DTXCID5036846245-589-7YTWBFUCJVWKCCK-UHFFFAOYSA-N23328-87-2MFCD00038620
Show more names
2-hexadecylimidazoleLABOTEST-BB LT004543382-heptadecyl-1h-imidazol2-Heptadecylimidazole>2-HEPTADECYL-1H-IMIDAZOLE2-HEPTADECYLIMIDAZOLE 85+%2-N-HEPTADECYLIMIDAZOLE 98+%
LT0036STK191943AKOS003656829SY055058H0021D90779FT-0612481SCHEMBL49709
Database identifiers
- CAS
23328-87-2- PubChem CID
- 90068
- DTXSID
DTXSID0066878- EC Number
- 245-589-7
- Nikkaji
- J183.808C
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 89 °C · 89 °C
- Boiling point
- 455.5 · 455.5±14.0 °C(Predicted)
- Density
- 0.897 · 0.897±0.06 g/cm3(Predicted)
- vapor pressure
- 0.013 Pa · 0.013Pa at 20℃
- storage temp.
- Store at room temperature
- solubility
- almost transparency in hot Methanol
- form
- Solid:particulate/powder
- pka
- 14.4 · 14.40±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)
- InChIKey
- YTWBFUCJVWKCCK-UHFFFAOYSA-N
- SMILES
- C1(CCCCCCCCCCCCCCCCC)NC=CN=1
- LogP
- 7.4 · 7.4-8.5 at 20℃ and pH7.5
- EPA Substance Registry System
- 1 H-Imidazole, · 1H-Imidazole, 2-heptadecyl- (23328-87-2)
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
This chemical does not meet GHS hazard criteria for 41.7% (30 of 72) of reports.
Danger
H318 (18.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Imidazole, 2-heptadecyl-
REACH registered substance: 2-heptadecyl-1H-imidazole (EC: 245-589-7)
1H-Imidazole, 2-heptadecyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Dam. 1 (18.1%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole, 2-heptadecyl-: ACTIVE
Applications
Uses2-Heptadecyl-1H-imidazole is used in preparation method of composite flame-retardant material.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…