4-Heptylbenzonitrile
Catalog Number
ACM60484675-1
CAS
60484-67-5
IUPAC Name
4-heptylbenzonitrile
Synonyms
1-(4-Cyanophenyl)heptane
Molecular Weight
201.31
Molecular Formula
C14H19N
Product Information
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C14H19N/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h8-11H,2-7H2,1H3
InChI Key
XTIKBCXMOYZUMG-UHFFFAOYSA-N
Purity
>98.0%(GC)
Appearance
Colorless to Almost colorless clear liquid
Complexity
193
Exact Mass
201.15175g/mol
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.
Heavy Atom Count
15
MDL Number
MFCD00143348
Monoisotopic Mass
201.15175g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Reaxys Registry Number
2100305
Refractive Index
1.51
Rotatable Bond Count
6
Signal Word
Warning
Specific Gravity
0.92
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation