CAS No.123-39-7,N-Methylformamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	123-39-7
Name:	N-Methylformamide
Article Data:	59
Cas Database

Formula:	C₂H₅NO
Molecular Weight:	59.0678
Synonyms:	Methylformamide;Monomethylformamide;N-Methylformimidic acid;N-Monomethylformamide;NSC 3051;Formamide, N-methyl-;Formamide, N-methyl- (8CI 9CI);methanimidic acid, methyl-;
EINECS:	204-624-6
Density:	0.872 g/cm³
Melting Point:	-3.2 °C
Boiling Point:	182.5 °C at 760 mmHg
Flash Point:	81.5 °C
Solubility:	infinitely soluble in water
Appearance:	clear colourless liquid
Hazard Symbols:	T
Risk Codes:	61-21
Safety:	53-45
Transport Information:	N/A
PSA:	29.10000
LogP:	0.38900

Synthetic route

: 3294-31-3
triethyl(methylamino)silane

: 18243-21-5
trimethylsilyl formate

A: 123-39-7
N-Methylformamide

B: 107-46-0
Hexamethyldisiloxane

C: 2652-41-7
1,1,1-triethyl-3,3,3-trimethyl-disiloxane

D: 994-49-0
hexaethyl disiloxane

Conditions

Conditions	Yield
for 1h; Ambient temperature;	A 100% B 21.5% C 23.6% D 44.5%
at 20℃; for 1h; Product distribution; Mechanism; various amides as catalysts;	A 100% B 21.5% C 23.6% D 44.5%
at 20℃; for 1h;	A 100% B 21.5% C 23.6% D 44.5%

...Expand

: 3294-31-3
triethyl(methylamino)silane

A: 123-39-7
N-Methylformamide

B: 107-46-0
Hexamethyldisiloxane

C: 2652-41-7
1,1,1-triethyl-3,3,3-trimethyl-disiloxane

D: 994-49-0
hexaethyl disiloxane

Conditions

Conditions	Yield
With trimethylsilyl formate at 20℃; for 1h;	A 100% B 21.5% C 23.6% D 44.5%

...Expand

: 107-31-3
Methyl formate

: 593-51-1
methylamine hydrochloride

: 123-39-7
N-Methylformamide

Conditions

Conditions	Yield
With sodium methylate In methanol Ambient temperature;	99%

: 64-18-6
formic acid

: 74-89-5
methylamine

: 123-39-7
N-Methylformamide

Conditions

Conditions	Yield
With aluminum oxide at 40℃; for 0.166667h; Neat (no solvent); Cooling with ice;	98%

: 107-31-3
Methyl formate

: 74-89-5
methylamine

: 123-39-7
N-Methylformamide

Conditions

Conditions	Yield
at 40 - 50℃;	93.5%
In water at 25℃; for 1h;	82%
With methanol
at 40 - 130℃;

: 18952-41-5
N-methylmethanethioamide

: 123-39-7
N-Methylformamide

Conditions

Conditions	Yield
With tetrabutylammonium periodite In dichloromethane at 20℃; for 0.75h;	86%

: 93214-66-5
α-(4-tert-Butoxy-2,6-di-tert-butyl-1-oxo-2,5-cyclohexadienyl)-N-tert-butylnitron

A: 123-39-7
N-Methylformamide

B: 2425-74-3
t-butylformamide

C: 27701-01-5
methyl N-tert-butylcarbamate

D: 7330-85-0
4-tert-Butoxy-2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 8h; Ambient temperature;	A n/a B n/a C n/a D 85%

...Expand

: [((η5-C5H3)2(SiMe2)2)Ru2(μ-H)(CO)4]BF4

: 74-89-5
methylamine

A: 123-39-7
N-Methylformamide

B: 287097-09-0
[(η5-C5H3)2(Si(CH3)2)2]Ru2(CO)4

C: 287097-18-1
((η5-C5H3)2(SiMe2)2)Ru2(CO)3(NH2Me)

Conditions

Conditions	Yield
With triphenylmethane In benzene-d6 amine was bubbled through a soln. in C6D6 in NMR tube for 5 min (Ar); not sepd., detected by NMR spectra;	A 84% B 5% C n/a

...Expand

: 18243-21-5
trimethylsilyl formate

A: 123-39-7
N-Methylformamide

B: 107-46-0
Hexamethyldisiloxane

C: 2652-41-7
1,1,1-triethyl-3,3,3-trimethyl-disiloxane

D: 994-49-0
hexaethyl disiloxane

Conditions

Conditions	Yield
With N-Methylformamide; triethyl(methylamino)silane at 20℃; for 0.0333333h;	A 80.2% B 45.2% C 13.1% D 41.5%

...Expand

: 10352-28-0
N-(2-benzoyl-4-chlorophenyl)formamide

: 74-88-4
methyl iodide

A: 123-39-7
N-Methylformamide

B: 52395-00-3
N-methyl-N-(2-benzoyl-4-chlorophenyl)formamide

Conditions

Conditions	Yield
In N-methyl-acetamide; water; mineral oil	A n/a B 70%
In N-methyl-acetamide; water; mineral oil	A n/a B 70%

...Expand

Raw Materials

107-31-3

100-97-0

77287-34-4

593-51-1

100-52-7

10026-13-8

75-50-3

124-40-3

Downstream Products

930-87-0

75-65-0

616-45-5

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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

1. Introduction of N-methylformamide
The N-methylformamide, with the CAS registry number 123-39-7, is also called Monomethylformamide. It is a kind of clear colourless liquid, and infinitely soluble in water.

2. Properties of N-methylformamide
(1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.27; (8)ACD/KOC (pH 7.4): 11.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.364; (14)Molar Refractivity: 15.09 cm³; (15)Molar Volume: 67.6 cm³; (16)Polarizability: 5.98×10^-24cm³; (17)Surface Tension: 23.2 dyne/cm; (18)Density: 0.872 g/cm³; (19)Flash Point: 81.5 °C; (20)Enthalpy of Vaporization: 41.87 kJ/mol; (21)Boiling Point: 182.5 °C at 760 mmHg; (22)Vapour Pressure: 0.808 mmHg at 25°C.

3. Structure Descriptors of N-methylformamide
(1)SMILES: O=CNC
(2)InChI: InChI=1/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
(3)InChIKey: ATHHXGZTWNVVOU-UHFFFAOYAO

4. Toxicity of N-methylformamide

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	intravenous	> 568mg/kg (568mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL)	National Technical Information Service. Vol. PB82-232158,
guinea pig	LD50	unreported	465mg/kg (465mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) MUSCULOSKELETAL: OTHER CHANGES	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(2), Pg. 30, 1992.
mouse	LD50	intramuscular	2700mg/kg (2700mg/kg)		Toxicology. Vol. 34, Pg. 173, 1985.
mouse	LD50	intraperitoneal	802mg/kg (802mg/kg)		National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse	LD50	intravenous	1580mg/kg (1580mg/kg)		Toxicology. Vol. 34, Pg. 173, 1985.
mouse	LD50	oral	2600mg/kg (2600mg/kg)		Toxicology. Vol. 34, Pg. 173, 1985.
mouse	LD50	subcutaneous	3100mg/kg (3100mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Dissertation Abstracts International, B: The Sciences and Engineering. Vol. 40, Pg. 549, 1979.
mouse	LD50	unreported	1175mg/kg (1175mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE MUSCULOSKELETAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(2), Pg. 30, 1992.
rat	LD50	intraperitoneal	3500mg/kg (3500mg/kg)		Journal of Reproduction and Fertility. Vol. 4, Pg. 219, 1962.
rat	LD50	oral	4gm/kg (4000mg/kg)		Journal of Reproduction and Fertility. Vol. 4, Pg. 219, 1962.
rat	LD50	subcutaneous	> 2500mg/kg (2500mg/kg)		Naunyn-Schmiedebergs Archiv fuer Pharmakologie und Experimentelle Pathologie. Vol. 257, Pg. 296, 1967.
rat	LD50	unreported	2400mg/kg (2400mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) MUSCULOSKELETAL: OTHER CHANGES	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(2), Pg. 30, 1992.

5. Safety Information of N-methylformamide
Hazard Symbols: Toxic

T
Risk Codes:
R61:May cause harm to the unborn child.
R21:Harmful in contact with skin.
Safety Description:
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

6. Preparation of N-methylformamide
N-methylformamide is prepared by methylamine and methyl formate:
CH₃NH₂ + HCOOCH₃ → CH₃NHCHO + CH₃OH

7. Use of N-methylformamide
N-methylformamide is used as a precursor to methyl isocyanide, a ligand in coordination chemistry and an intermediate in the production of some pharmaceutical compounds. It is also mainly used as a reagent in various organic syntheses with limited applications as a highly polar solvent.

8. Other details of N-methylformamide
You should be cautious while dealing with N-methylformamide. Itis harmful in contact with skin, and may cause harm to the unborn child. Therefore, you had better take the following instructions: Avoid exposure - obtain special instruction before use, and In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

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