1-Phenyl-1-cyclohexene - CAS 771-98-2
Catalog: |
BB035855 |
Product Name: |
1-Phenyl-1-cyclohexene |
CAS: |
771-98-2 |
Synonyms: |
cyclohexen-1-ylbenzene |
IUPAC Name: | cyclohexen-1-ylbenzene |
Description: | 1-Phenyl-1-cyclohexene (CAS# 771-98-2) is metabolite of Phencyclidine (P295500), an anesthetic. |
Molecular Weight: | 158.24 |
Molecular Formula: | C12H14 |
Canonical SMILES: | C1CCC(=CC1)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2 |
InChI Key: | WCMSFBRREKZZFL-UHFFFAOYSA-N |
Boiling Point: | 251-253 °C |
Melting Point: | -11 °C |
Purity: | 95 % |
Density: | 0.994 g/cm3 |
Appearance: | Colorless to light yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001542 |
LogP: | 3.64400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264957-A | Preparation method of beta-trifluoromethyl thioester compound | 20210510 |
CN-112321436-A | Method for synthesizing heteroatom-substituted aromatic compound from styrene compound | 20201106 |
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CN-111217769-A | Method for synthesizing epoxy compound by catalyzing olefin epoxidation through nano aluminum oxide | 20200229 |
WO-2021168469-A1 | Systems and methods for fluid sample collection and testing | 20200205 |
PMID | Publication Date | Title | Journal |
22796094 | 20121031 | Mutations at the putative active cavity of styrene monooxygenase: enhanced activity and reversed enantioselectivity | Journal of biotechnology |
22105943 | 20111216 | Epoxidation of alkenes catalyzed by phenyl group-modified, periodic mesoporous organosilica-entrapped, dimeric manganese-salen complexes | ChemSusChem |
21080687 | 20101217 | Oxidative cleavage of alkenes using an in situ generated iodonium ion with oxone as a terminal oxidant | Organic letters |
20087916 | 20100301 | Intermolecular photocyclizations of N-(omega-hydroxyalkyl)tetrachlorophthalimide with alkenes leading to medium- and large-ring heterocycles--reaction modes and regio- and stereoselectivity of the 1,n-biradicals | Chemistry (Weinheim an der Bergstrasse, Germany) |
15675847 | 20050204 | Fluorinated chiral secondary amines as catalysts for epoxidation of olefins with oxone | The Journal of organic chemistry |
Complexity: | 161 |
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: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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