1-Butyl-4-ethynylbenzene - CAS 79887-09-5
Catalog: |
BB036423 |
Product Name: |
1-Butyl-4-ethynylbenzene |
CAS: |
79887-09-5 |
Synonyms: |
1-butyl-4-ethynylbenzene |
IUPAC Name: | 1-butyl-4-ethynylbenzene |
Description: | 1-Butyl-4-ethynylbenzene (CAS# 79887-09-5) is a useful research chemical. |
Molecular Weight: | 158.24 |
Molecular Formula: | C12H14 |
Canonical SMILES: | CCCCC1=CC=C(C=C1)C#C |
InChI: | InChI=1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3 |
InChI Key: | ZVWWYEHVIRMJIE-UHFFFAOYSA-N |
Boiling Point: | 225.2 °C at 760 mmHg |
Purity: | > 96.0 % (GC) |
Density: | 0.906 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Inert atmosphere. Keep cold. |
MDL: | MFCD00173885 |
LogP: | 3.01050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261-P305+P351+P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.109550447 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.109550447 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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