Benzil - CAS 134-81-6

Catalog:	BB008018
Product Name:	Benzil
CAS:	134-81-6
Synonyms:	1,2-diphenylethane-1,2-dione
Application:	Used in organic syntheses.

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Computed Properties

IUPAC Name:	1,2-diphenylethane-1,2-dione
Description:	An impurity of Phenytoin which is an anti-arrhythmic and a muscle relaxant.
Molecular Weight:	210.23
Molecular Formula:	C14H10O2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
InChI:	InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChI Key:	WURBFLDFSFBTLW-UHFFFAOYSA-N
Boiling Point:	348 °C
Melting Point:	96 °C
Purity:	98 %
Density:	1.521 g/cm³
Appearance:	Light yellow to yellow to orange powder to crystal
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00003080
LogP:	2.75220

Publication Number	Title	Priority Date
CN-113512367-A	High-frequency photosensitive cover film and application thereof	20210804
CN-113481128-A	Bacillus tropicalis and application thereof in reduction of Cr (VI)	20210801
CN-113501916-A	Degradable shape memory polymer, preparation method and application thereof, and 4D printing degradable inferior vena cava filter	20210727
CN-113480219-A	Chromium reducing agent for reducing water-soluble chromium (VI) in cement and preparation method thereof	20210715
CN-113480891-A	3D printing ink and preparation method thereof, SPC floor and preparation method thereof	20210713

PMID	Publication Date	Title	Journal
25451588	20150605	Molecular and biochemical characterisation of human short-chain dehydrogenase/reductase member 3 (DHRS3)	Chemico-biological interactions
24246760	20140125	Biochemical properties of human dehydrogenase/reductase (SDR family) member 7	Chemico-biological interactions
23727220	20131001	P2X7 receptors at adult neural progenitor cells of the mouse subventricular zone	Neuropharmacology
23080400	20121205	C2v symmetrical two-photon polymerization initiators with anthracene core: synthesis, optical and initiating properties	Physical chemistry chemical physics : PCCP
22809255	20120814	Gold nanoparticles functionalized with deep-cavity cavitands: synthesis, characterization, and photophysical studies	Langmuir : the ACS journal of surfaces and colloids

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GHS Hazard Statement:	H315 (99.82%): 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

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.068079557
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4