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632-22-4 structure

Iupac Name:1,1,3,3-tetramethylurea
CAS No.:632-22-4
Molecular Weight:116.16158
Molecular Formula:C12H20O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
Canonical Smiles
CN(C)C(=O)N(C)C
Properties
Density
0.938
Melting Point
-1℃
Boiling Point
564.2°C at 760 mmHg
Refractive Index
1.4496-1.4516
Flash Point
232°C
HS Code
29241900
Safety and Handling
Risk Statements
R22
Safety Statements
S45;S53
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 632-22-4 EC: ·ECHA C&L Inventory for CAS: CAS: 632-22-4 EC:
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:116.16158g/mol
  • Molecular Formula:C12H20O2
  • XLogP3-AA:0.2
  • Exact Mass:116.094963
  • Monoisotopic Mass:116.094963
  • Complexity:78.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:23.6
  • Heavy Atom Count:8
  • 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:1
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