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Methylaminoformyl chloride

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Name

Methylaminoformyl chloride

EINECS 229-253-7
CAS No. 6452-47-7 Density 1.185 g/cm3
PSA 29.10000 LogP 0.95550
Solubility N/A Melting Point 45 °C
Formula C2H4ClNO Boiling Point 93oC (dec.)
Molecular Weight 93.5129 Flash Point N/A
Transport Information N/A Appearance white crystals
Safety Risk Codes 22
Molecular Structure Molecular Structure of 6452-47-7 (Methylaminoformyl chloride) Hazard Symbols Xn
Synonyms

Carbamoylchloride, methyl- (7CI);Methylcarbamoyl chloride;N-Methylcarbamoyl chloride;NSC 133003;

Article Data 11

Methylaminoformyl chloride Synthetic route

methycarbamoyl chloride

methycarbamoyl chloride

598-94-7

1,1-Dimethylurea

624-83-9

methyl isocyanate

6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
In chloroform96.7%
105-40-8

Ethyl N-methylcarbamate

A

624-83-9

methyl isocyanate

B

6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
With Phenyltrichlorosilane at 100 - 150℃; for 1h;A 77.3%
B n/a
624-83-9

methyl isocyanate

6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane at 15℃; for 0.5h;54.4%
With hydrogenchloride In tetrachloromethane
With hydrogenchloride
75-44-5

phosgene

593-51-1

methylamine hydrochloride

6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
at 250 - 300℃;
at 250 - 300℃;
75-44-5

phosgene

74-89-5

methylamine

6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
at 275℃;
22013-97-4

N-methyl-thiocarbamic acid S-methyl ester

6452-47-7

methylcarbamoyl chloride

Conditions
ConditionsYield
With chlorine In Dimethyldisulphide at -15 - -10℃; for 0.833333h;

3-(oxetan-3-ylmethoxy)-4-phenoxyaniline

6452-47-7

methylcarbamoyl chloride

1-methyl-3-[3-(oxetan-3-ylmethoxy)-4-phenoxyphenyl]urea

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 25℃; for 16h;100%

4'-ethyl-2-methylbiphenyl-4-amine

6452-47-7

methylcarbamoyl chloride

1-(4'-ethyl-2-methylbiphenyl-4-yl)-3-methylurea

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 25℃; for 16h; Inert atmosphere;100%

1-iodo-5, 6,7,8-tetrahydroimidazo[1,5-a]pyrazine hydrochloride

6452-47-7

methylcarbamoyl chloride

1-iodo-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 1h;98%
6452-47-7

methylcarbamoyl chloride

25366-22-7

N-methyl-5-(trifluoromethyl)-1 3,4-thiadiazol-2-amine

25366-23-8

1-methyl-3-methyl-3-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)urea

Conditions
ConditionsYield
With triethylamine In toluene at 30 - 75℃; for 5h; Temperature; Reagent/catalyst;97.5%

Methylaminoformyl chloride Specification

The CAS register number of Carbamic chloride,methyl- (9CI) is 6452-47-7. It also can be called as Methylaminoformyl chloride and the IUPAC name about this chemical is N-methylcarbamoyl chloride. The molecular formula about this chemical is C2H4ClNO and the molecular weight is 93.51.

Physical properties about Carbamic chloride,methyl- (9CI) are: (1)ACD/LogP: 0.28; (2)ACD/LogD (pH 5.5): 0.28; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.76; (7)ACD/KOC (pH 7.4): 33.74; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 20.31Å2; (11)Index of Refraction: 1.415; (12)Molar Refractivity: 19.78 cm3; (13)Molar Volume: 78.8 cm3; (14)Polarizability: 7.84x10-24cm3; (15)Surface Tension: 29.1 dyne/cm.

Preparation: this chemical can be prepared by isocyanatomethane. This reaction will need reagent HCl.

Uses of Carbamic chloride,methyl- (9CI): it can be used to produce 2-oxo-imidazolidine-1-carboxylic acid methylamide with imidazolidin-2-one. The yield is about 38%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)NC
(2)InChI: InChI=1/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)
(3)InChIKey: GRRYSIXDUIAUGY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5)
(5)Std. InChIKey: GRRYSIXDUIAUGY-UHFFFAOYSA-N

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