ChemicalBook--->CAS DataBase List--->598-50-5

598-50-5

598-50-5 Structure

598-50-5 Structure
IdentificationMore
[Name]

Methylurea
[CAS]

598-50-5
[Synonyms]

1-METHYLUREA
METHYLCARBAMIC AMIDE
METHYLUREA
MONOMETHYLUREA
N-METHYLUREA
CH3NHCONH2
methylcarbamide
methylharnstoff
Methylmocovina
methyl-ure
Methyturea
urea,methyl-
Methylurea,98%
1-methylurea 500-3,000lb
Mono-methylharnstoff
1-Methylisourea
[EINECS(EC#)]

209-935-0
[Molecular Formula]

C2H6N2O
[MDL Number]

MFCD00007950
[Molecular Weight]

74.08
[MOL File]

598-50-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline solid
[Melting point ]

~93 °C
[Boiling point ]

131.34°C (rough estimate)
[density ]

1.2040
[vapor pressure ]

0.003-0.005Pa at 20-23.3℃
[refractive index ]

1.4264 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

1000g/l (Lit.)
[form ]

Crystalline Solid
[pka]

14.38±0.46(Predicted)
[color ]

White to off-white
[Specific Gravity]

1.204
[PH]

6.7 (50g/l, H2O, 20℃)
[Water Solubility ]

1000 g/L (20 ºC)
[BRN ]

878189
[InChI]

1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
[InChIKey]

XGEGHDBEHXKFPX-UHFFFAOYSA-N
[SMILES]

CNC(N)=O
[LogP]

-1.16 at 25℃ and pH7.7
[CAS DataBase Reference]

598-50-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Urea, methyl-(598-50-5)
[EPA Substance Registry System]

598-50-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R68:Possible risk of irreversible effects.
R37:Irritating to the respiratory system.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[RTECS ]

YT7175000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29241900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Theobromine-->3-Methylxanthine-->5,6-Diamino-1-methyluracil-->16beta-Methyl-16alpha,17alpha-epoxypregnenolone-->finishing agent ED for pernyl silk-->16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate-->16,17-Epoxy-16-methyl pregn-9(11)-en-3-ol-20-one-->6-AMINO-1-METHYL-5-NITROSOURACIL-->16-Methylepihydrocortisone-->6-Amino-1-methyluracil-->3-Acetyloxy-17-hydroxy-16-methylpregn-5-en-20-one-->3-Acetyloxy-16,17-epoxy-16-methylpregn-5-en-20-one-->17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate-->21-Acetyloxy-17-hydroxy-16-methylpregn-4-ene-3,20-dione-->3beta,17-dihydroxy-16alpha-methylpregn-5-en-20-one-->16-methyl-20-oxopregna-5,16-dien-3-beta-yl acetate-->3-(2,3-DIHYDROBENZOFURAN-5-YL)PROPANOIC ACID-->17,21-dihydroxy-16alpha-methylpregna-4,9(11)-diene-3,20-dione 21-acetate-->Methanimidamide, N,N'-bis[(methylamino)carbonyl]--->3,17-Dihydroxy-16-methylpregna-5,15-diene-20-one 3-acetate-->2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-phenyl-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

N-Methylurea(598-50-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline solid
[Uses]

N-Methylurea is used as a reagent in the synthesis of bis(aryl)(hydroxyalkyl)(methyl)glycoluril derivatives and is a potential byproduct of caffeine.
[Definition]

ChEBI: A member of the class of ureas that is urea substituted by a methyl group at one of the nitrogen atoms.
[Production Methods]

Methylurea is produced on an industrial scale by passing monomethylamine into a urea melt.
[Purification Methods]

Crystallise the urea from EtOH/water, then dry it under vacuum at room temperature. [Beilstein 4 IV 205.]
Spectrum DetailBack Directory
[Spectrum Detail]

Methylurea(598-50-5)MS
Methylurea(598-50-5)1HNMR
Methylurea(598-50-5)13CNMR
Methylurea(598-50-5)IR1
Methylurea(598-50-5)IR2
Methylurea(598-50-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methylurea, 97%(598-50-5)
[Alfa Aesar]

Methylurea, 98%(598-50-5)
[Sigma Aldrich]

598-50-5(sigmaaldrich)
[TCI AMERICA]

1-Methylurea,>98.0%(N)(598-50-5)
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