2-Chloro-4-(tert-pentyl)phenol - CAS 5323-65-9
Catalog: |
BB069710 |
Product Name: |
2-Chloro-4-(tert-pentyl)phenol |
CAS: |
5323-65-9 |
Synonyms: |
2-Chloro-4-(tert-pentyl)phenol; 2-chloro-4-(2-methylbutan-2-yl)phenol; 2-Chloro-4-tert-amylphenol; Phenol, 2-chloro-4-(1,1-dimethylpropyl)-; Phenol, 2-chloro-4-tert-pentyl-; 2-Chloro-4-tert-pentylphenol; Chloro-4-tert-amylphenol |
IUPAC Name: | 2-chloro-4-(2-methylbutan-2-yl)phenol |
Description: | 2-Chloro-4-(tert-pentyl)phenol (cas# 5323-65-9) is a useful research chemical. |
Molecular Weight: | 198.68 |
Molecular Formula: | C11H15OCl |
Canonical SMILES: | CCC(C)(C)C1=CC(=C(C=C1)O)Cl |
InChI: | InChI=1S/C11H15ClO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4H2,1-3H3 |
InChI Key: | UKTIQCCWPKUZKD-UHFFFAOYSA-N |
Solubility: | Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Colourless to Pale Yellow Oil |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0811428 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0811428 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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