4-Chloro-2-methylphenol - CAS 1570-64-5
Catalog: |
BB069972 |
Product Name: |
4-Chloro-2-methylphenol |
CAS: |
1570-64-5 |
Synonyms: |
4-Chloro-o-cresol; 4-Chloro-2-cresol; 4-Chloro-2-methylphenol; 4-Chloro-o-cresol5-Chloro-2-hydroxytoluene; NSC 2851; PCOC; p-Chloro-o-cresol |
IUPAC Name: | 4-chloro-2-methylphenol |
Description: | 4-Chloro-2-methylphenol is a transformation/degredation product of herbicides found in the environment through landfills and runoff. |
Molecular Weight: | 142.58 |
Molecular Formula: | C7H7ClO |
Canonical SMILES: | CC1=C(C=CC(=C1)Cl)O |
InChI: | InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
InChI Key: | RHPUJHQBPORFGV-UHFFFAOYSA-N |
Boiling Point: | 432 to 437 °F at 760 mmHg |
Melting Point: | 118 to 124 °F |
Flash Point: | greater than 235 °F |
Density: | 1.2 g/cu cm |
Solubility: | Solubility in water, G/100ml at 20 °C: 0.23 |
Appearance: | Needles from petroleum ether;pale yellow solid |
References: | Lagana, A. et al. Anal. Chim. Acta., 462, 187 (2002); Irmak, S. et al. App. Catal. B. Environ.., 63, 243 (2006). |
GHS Hazard Statement: | H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.0185425 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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