4-Heptylbenzonitrile
Basic information
- CAS
60484-67-5- Standard SMILES
CCCCCCCc1ccc(C#N)cc1- InChIKey
XTIKBCXMOYZUMG-UHFFFAOYSA-N- Molecular formula
- C14H19N
- Average molar mass
- 201.31 g/mol
- Monoisotopic mass
- 201.15174961
Names & identifiers
- Preferred name
- 4-Heptylbenzonitrile
- IUPAC
- 4-heptylbenzonitrile
- English name
- 4-n-Heptylbenzonitrile
- Molecular formula
- C14H19N
- Molecular weight
- 201.31
Names & synonyms
4-Heptylbenzonitrile60484-67-5XTIKBCXMOYZUMG-UHFFFAOYSA-DTXSID00341804RefChem:523578DTXCID20292884679-958-2InChI=1/C14H19N/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h8-11H,2-7H2,1H31-(4-Cyanophenyl)heptaneMFCD001433484-N-HEPTYLBENZONITRILE4-heptylbenzenecarbonitrile
Show more names
Benzonitrile, 4-heptyl-4-Heptylbenzonitrile>4-CYANOPHENYL-N-HEPTANE4-N-HEPTYLBENZONITRILE 98+%
p-Heptylbenzonitrilep-n-heptylbenzonitrile4-Heptylbenzonitrile #SCHEMBL13128124-(6-methylhexyl) benzonitrileSBB059149AKOS015839894FH61860
Database identifiers
- CAS
60484-67-5- PubChem CID
- 575863
- DTXSID
DTXSID00341804- EC Number
- 679-958-2
- Nikkaji
- J30.854D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Density
- 0.92 · 0.92
- refractive index
- 1.505 · 1.5050-1.5070
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- HS Code
- 2926.9 · 2926.90.4801
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926.90.4801
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Related reactions
2 records
Compound notes
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