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POLY(UREA-CO-FORMALDEHYDE), METHYLATED structure
POLY(UREA-CO-FORMALDEHYDE), METHYLATED structure

POLY(UREA-CO-FORMALDEHYDE), METHYLATED

Iupac Name:formaldehyde;urea
CAS No.: 68071-45-4
Molecular Weight:90.08
Modify Date.: 2022-11-25 07:40
1. Names and Identifiers
1.1 Name
POLY(UREA-CO-FORMALDEHYDE), METHYLATED
1.2 Synonyms

Formaldehyde,ureacopolymer,methylolated MFCD00197930 Urea, polymer with formaldehyde, methylated Urea,formaldehydepolymer,methylated Urea,formaldehyderesin,methylated Urea,polymerwithformaldehyde,methylated

1.3 CAS No.
68071-45-4
1.4 CID
62705
1.5 EINECS(EC#)
614-201-1; 614-202-7; 618-464-3; 614-258-2; 271-898-1
1.6 Molecular Formula
C2H6N2O2 (isomer)
1.7 Inchi
InChI=1S/CH4N2O.CH2O/c2-1(3)4;1-2/h(H4,2,3,4);1H2
1.8 InChIkey
ODGAOXROABLFNM-UHFFFAOYSA-N
1.9 Canonical Smiles
C=O.C(=O)(N)N
1.10 Isomers Smiles
C=O.C(=O)(N)N
2. Properties
2.1 Density
1.217 g/mL at 25 °C(lit.)
2.1 Boiling point
196.6 °C at 760 mmHg
2.1 Refractive index
n20/D 1.484(lit.)
2.1 Flash Point
>230 °F
2.1 PSA
87.17000
2.1 logP
0.68890
2.1 Color/Form
Amorphous powder
2.2 Decomposition
Decomposes at 200 °C (without melting)
2.3 Water Solubility
Solubility in water = 0.28-0.31%
3. Safety and Handling
3.1 Hazard Codes
T
3.1 Risk Statements
45-46-36/37/38-43
3.1 Safety Statements
53-23-26-36/37/39-45
3.1 DisposalMethods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
3.2 Formulations/Preparations
Contents of solids are 65.6%, that of free formaldehyde are 0.2%.
Consists of a mixture of methylene-urea polymers of varying length. Total nitrogen content at least 35%.
3.3 WGK Germany
3
4. Computational chemical data
  • Molecular Weight: 90.08g/mol
  • Molecular Formula: C2H6N2O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 90.042927438
  • Monoisotopic Mass: 90.042927438
  • Complexity: 31
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 86.2
  • Heavy Atom Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
  • CACTVS Substructure Key Fingerprint: AAADcYBDMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgAQAAAAAAAAAAIBAABAAAAIAAAAkAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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