Basic information
- CAS
18300-91-9- Standard SMILES
CCCCCCCCCCCCCCC#N- InChIKey
KRKQHNVYOWTEQO-UHFFFAOYSA-N- Molecular formula
- C15H29N
- Average molar mass
- 223.4 g/mol
- Monoisotopic mass
- 223.22999993
Overview
Pentadecanenitrile is a nitrile.
Names & identifiers
- Preferred name
- Pentadecanenitrile
- IUPAC
- pentadecanenitrile
- English name
- N-PENTADECANONITRILE
- Molecular formula
- C15H29N
- Molecular weight
- 223.4
Names & synonyms
Pentadecanenitrile18300-91-9n-PentadecanonitrilePentadecanonitrileTetradecyl cyanidePentadecanitrileEINECS 242-184-7DTXSID50171375RefChem:171337DTXCID3093866242-184-7KRKQHNVYOWTEQO-UHFFFAOYSA-N
Show more names
NISTC183009191-tetradecylcyanideN-TETRADECYL CYANIDE
MFCD00019849pentadecannitrilMyristyl CyanideC15H29NSCHEMBL60022SCHEMBL4754561SCHEMBL4754562SCHEMBL8602004
Database identifiers
- CAS
18300-91-9- PubChem CID
- 87568
- DTXSID
DTXSID50171375- ChEBI
CHEBI:219509- EC Number
- 242-184-7
- Nikkaji
- J104.523G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty nitriles [FA09]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 20 · 20-23 °C(lit.)
- Boiling point
- 322 °C · 322 °C(lit.)
- Density
- 0.825 g/mL · 0.825 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.442(lit.)
- Flash point
- 22 °C · 22 °C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- InChI
- InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3
- InChIKey
- KRKQHNVYOWTEQO-UHFFFAOYSA-N
- SMILES
- C(#N)CCCCCCCCCCCCCC
- LogP
- 6.29 · 6.290 (est)
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesAcute Tox. 4 (97.6%)
Safety data
- ridadr
- UN 3276 6.1/PG 1
- hs_code
- 2926.90.5050
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H332-H312-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南通萧畅医药贸易有限公司0513-82104991 15716298942 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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