4-Hexylaniline
Catalog Number
ACM33228454
CAS
33228-45-4
IUPAC Name
4-hexylaniline
Molecular Weight
177.29
Molecular Formula
C12H19N
Product Information
Canonical SMILES
CCCCCCC1=CC=C(C=C1)N
Inchi
InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
InChIKey
OVEMTTZEBOCJDV-UHFFFAOYSA-N
Boiling Point
285 °C
Purity
>98.0%(GC)(T)
Density
Light Sensitive,Air Sensitive,Heat Sensitive
Appearance
Colorless to Light yellow to Light orange clear liquid
storage
Store under inert gas,0-10°C
Complexity
114
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
13
MDL Number
MFCD00007927
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Reaxys Registry Number
2085111
Refractive Index
1.52
Rotatable Bond Count
5
Signal Word
Warning
Solubility In Water
Insoluble
Monoisotopic Mass
177.15175g/mol
Exact Mass
177.15175g/mol
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