Formanilide - CAS 103-70-8

Name: Formanilide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	N-phenylformamide
Description:	Formanilide (CAS# 103-70-8) is a useful research chemical compound.
Molecular Weight:	121.14
Molecular Formula:	C7H7NO
Canonical SMILES:	C1=CC=C(C=C1)NC=O
InChI:	InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChI Key:	DYDNPESBYVVLBO-UHFFFAOYSA-N
Boiling Point:	271 °C
Melting Point:	47-49 °C
Flash Point:	greater than 235 °F
Purity:	97 %
Density:	1.144 g/mL at 25 °C (lit.)
Solubility:	10 to 50 mg/mL at 77 °F
Appearance:	White crystalline solid.
Storage:	Sealed in dry, 2-8 °C
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00003276
LogP:	1.96380
Vapor Pressure:	0.00357 [mmHg]

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3708565-A1	Pyrimidinyloxyphenylamidines and the use thereof as fungicides	20200304
US-2021188800-A1	Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same	20191220
WO-2021122272-A1	Low volatile polyamine salts of anionic pesticides	20191220
WO-2021122975-A1	Substituted thiophene carboxamides and derivatives thereof as microbicides	20191220
WO-2021122986-A1	Thienyloxazolones and analogues	20191220

PMID	Publication Date	Title	Journal
22935496	20120901	Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with o- and p-anisidine and m- and p-aminobenzoic acids	Acta crystallographica. Section C, Crystal structure communications
22831800	20120815	Synthesis of phenserine analogues and evaluation of their cholinesterase inhibitory activities	Bioorganic & medicinal chemistry
22590423	20120501	N-(2,6-Diisopropyl-phen-yl)formamide toluene 0.33-solvate	Acta crystallographica. Section E, Structure reports online
22443236	20120419	Photoionization-induced water migration in the hydrated trans-formanilide cluster cation revealed by gas-phase spectroscopy and ab initio molecular dynamics simulation	The journal of physical chemistry. A
22216416	20120101	New acetylcholinesterase inhibitors for Alzheimer's disease	International journal of Alzheimer's disease

Complexity:	86.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.052763847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	121.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2