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Home> Hot Product Listed T   > T6476248
2103-57-3 structure

T6476248

Iupac Name:2,3,4-trimethoxybenzaldehyde
CAS No.:2103-57-3
Molecular Weight:196.2
Molecular Formula:C14H14CLN5O (isomer)
Names and Identifiers
Synonyms

3-cyclopropyl-3-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]urea MCULE-7940346861 MOLPORT-009-042-349 Z381535378 ZINC40513563

Inchi
InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
InChkey
UCTUXUGXIFRVGX-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C(=C(C=C1)C=O)OC)OC
Properties
Melting Point
38-40 °C(lit.)
Refractive Index
n20/D 1.5547(lit.)
HS Code
29124900
Safety and Handling
Risk Statements
36/37/38-34
Safety Statements
22-24/25-45-36/37/39-27-26
Transport
OTH
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 2103-57-3 EC: T6476248 ·ECHA C&L Inventory for CAS: CAS: 2103-57-3 EC: T6476248
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:196.2g/mol
  • Molecular Formula:C14H14CLN5O
  • Compound Is Canonicalized:True
  • Exact Mass:196.074
  • Monoisotopic Mass:196.074
  • Complexity:183
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:44.8A^2
  • Heavy Atom Count:14
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIyBoAABACI AihSgAACCAAkIAAIiAEGiMgNJzaENRqAMWIl4BUKqYeK7DzOIAABCAAIQABAAAIQABCAAAAAAAAA AA==
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