Benzophenone Imine - CAS 1013-88-3

Catalog:	BB000496
Product Name:	Benzophenone Imine
CAS:	1013-88-3
Synonyms:	diphenylmethanimine; diphenylmethanimine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	diphenylmethanimine
Description:	Benzophenone Imine (CAS# 1013-88-3) is an intermediate material for organic synthesis. Dyes and metabolites.
Molecular Weight:	181.23
Molecular Formula:	C13H11N
Canonical SMILES:	C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
InChI:	InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChI Key:	SXZIXHOMFPUIRK-UHFFFAOYSA-N
Boiling Point:	216 °C (75 mmHg)
Density:	1.08 g/cm³
MDL:	MFCD00001760
LogP:	3.20250

Publication Number	Title	Priority Date
US-2021189018-A1	Hyaluronic acid derivatives	20191220
WO-2021122645-A1	Pesticidally active azole-amide compounds	20191220
WO-2021127302-A1	2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
WO-2021127337-A1	Trpml modulators	20191219

PMID	Publication Date	Title	Journal
22870811	20120601	A convenient method for the enantiomeric separation of α-amino acid esters as benzophenone imine Schiff base derivatives	Archives of pharmacal research
22322525	20120319	Preparation of chiral amino esters by asymmetric phase-transfer catalyzed alkylations of Schiff bases in a ball mill	Chemistry (Weinheim an der Bergstrasse, Germany)
22149572	20120106	Cumyl ester as the C-terminal protecting group in the enantioselective alkylation of glycine benzophenone imine	Organic letters
21863193	20111021	Synthesis of novel β-aminocyclobutanecarboxylic acid derivatives by a solvent-free aza-Michael addition and subsequent ring closure	Organic & biomolecular chemistry
21848327	20110921	Autocatalysis and surface catalysis in the reduction of imines by SmI2	Journal of the American Chemical Society

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Related Functional Groups

Nitrogen Compounds

[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[7492-88-8]
3-piperidinecarbonitrile
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[1392212-02-0]
Benzyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

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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

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.089149355
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.089149355
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3