N-Methylformanilide - CAS 93-61-8

Name: N-Methylformanilide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040989
Product Name:	N-Methylformanilide
CAS:	93-61-8
Synonyms:	N-methyl-N-phenylformamide

Technical Data

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Literatures

Computed Properties

IUPAC Name:	N-methyl-N-phenylformamide
Description:	N-Methylformanilide (CAS# 93-61-8) is an aromatic reagent used in the synthesis of dye-sensitized solar cells. Also used in the synthesis of potent tyrosinase inhibitors.
Molecular Weight:	135.16
Molecular Formula:	C8H9NO
Canonical SMILES:	CN(C=O)C1=CC=CC=C1
InChI:	InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:	JIKUXBYRTXDNIY-UHFFFAOYSA-N
Boiling Point:	243-244 °C
Density:	1.095 g/cm³
Appearance:	Colorless liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00003283
LogP:	1.91510
Vapor Pressure:	0.02 [mmHg]

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (87.72%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113304733-A	Preparation of acyl chloride resin and method for removing trace DMAc in DMF by adsorption	20210521
CN-113214057-A	Method for synthesizing aromatic aldehyde by Lewis acid catalysis	20210514
CN-113214045-A	Preparation process of high-purity 3, 5-bis (trifluoromethyl) benzyl alcohol	20210427
JP-2021073654-A	Method for Producing Liquid Composition for Organic Electroluminescent Device	20210125
CN-112552290-A	Amido bond-containing phenylfuran-2-tetrahydroisoquinoline compound and preparation method and application thereof	20201231

PMID	Publication Date	Title	Journal
17672495	20070823	Model of peptide bond-aromatic ring interaction: correlated ab initio quantum chemical study	The journal of physical chemistry. B
15002976	20040301	The use of solid-phase supported 1-N-piperazine-4-N-carboxaldehyde in Vilsmeier reactions	Journal of combinatorial chemistry
12968905	20030919	N-methylformamide-benzene complex as a prototypical peptide N-H...pi hydrogen-bonded system: density functional theory and MP2 studies	The Journal of organic chemistry
12610980	20030107	The unique nucleophilic reactivity of arylaminochlorocarbenes	Chemical communications (Cambridge, England)

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.068413911
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1