2-Chloromethyl-2-phenylpropane - CAS 515-40-2
Catalog: |
BB027486 |
Product Name: |
2-Chloromethyl-2-phenylpropane |
CAS: |
515-40-2 |
Synonyms: |
(1-chloro-2-methylpropan-2-yl)benzene |
IUPAC Name: | (1-chloro-2-methylpropan-2-yl)benzene |
Description: | 2-Chloromethyl-2-phenylpropane (CAS# 515-40-2) is a byproduct in the synthesis of Ethophenprox (E936400), a pyrethroid derivative which is used as an insecticide. |
Molecular Weight: | 168.66 |
Molecular Formula: | C10H13Cl |
Canonical SMILES: | CC(C)(CCl)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
InChI Key: | DNXXUUPUQXSUFH-UHFFFAOYSA-N |
Boiling Point: | 95-100 °C (10 mmHg) |
Purity: | 98 % |
Density: | 1.047 g/cm3 |
Appearance: | Clear, colorless liquid. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000940 |
LogP: | 3.20300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020048411-A1 | Quaternary Nitrogen Compound for Use as a Latent Catalyst in Curable Compositions | 20180426 |
EP-3395800-A1 | Heterocyclic quaternary nitrogen compounds comprising a polymeric substituent and their use as a photolatent catalyst in curable compositions | 20170426 |
CN-107108871-A | The manufacture method of polyester | 20150119 |
CN-107108871-B | The manufacturing method of polyester | 20150119 |
WO-2012056419-A1 | N-heterocyclic carbene complexes, their preparation and use | 20101028 |
PMID | Publication Date | Title | Journal |
22408434 | 20120101 | Effect of the leaving group and solvent combination on the LFER reaction constants | International journal of molecular sciences |
20809644 | 20100930 | Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group | The journal of physical chemistry. A |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0705781 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0705781 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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