Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Custom Manufacturing  /  Essential oils and others  /  Organic Intermediates
KB-3354756 structure
KB-3354756 structure

KB-3354756

Iupac Name:5-(hydroxymethyl)furan-2-carbaldehyde
CAS No.: 67-47-0
Molecular Weight:126.11000
Modify Date.: 2022-04-10 15:42
1. Names and Identifiers
1.1 Name
KB-3354756
1.2 Synonyms

3-acetyl-5-methyl-4-azaindole

1.3 CAS No.
67-47-0
1.4 CID
237332
1.5 Molecular Formula
C12H25NO2 (isomer)
1.6 Inchi
InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
1.7 InChkey
NOEGNKMFWQHSLB-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(OC(=C1)C=O)CO
1.9 Isomers Smiles
C1=C(OC(=C1)C=O)CO
2. Properties
3.1 Melting point
28-34°C(lit.)
3.1 Refractive index
n20/D 1.562(lit.)
3.1 Vapour pressure
5.28X10-3 mm Hg at 25 °C (est)
3.1 Precise Quality
126.03200
3.1 PSA
50.44000
3.1 logP
0.58440
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26-S36-S24/25
4.1 Packing Group
III
4.1 Hazard Declaration
H315-H319-H335
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P280-P304 + P340 + P312-P305 + P351 + P338-P337 + P313
4.1 WGK Germany
2
4.1 RTECS
LT7031100
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 126.11000g/mol
  • Molecular Formula: C12H25NO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 126.031694049
  • Monoisotopic Mass: 126.031694049
  • Complexity: 103
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 50.4
  • Heavy Atom Count: 9
  • 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: AAADcYBgMAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAABgAAAGgAACAAACASgkAIwBIAABkCIAKhSgAICCAAkIAAIiAFGCMgNNjKENR6CWSCkwBELuYeIbgRgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
Global197SuppliersView all >>
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0310-15343106358
  • Email:guide@cnyouze.com
5-hydroxymethylfurfural CAS 67-47-0 HMF/EINECS 200-654-9
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 8 USD/kg
  • Time: 2022/08/17
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:sales7@crovellbio.com
5-Hydroxymethylfurfural CAS 67-47-0 with good price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-156-33831222
  • Email:xing@yan-xi.com
5-hydroxymethylfurfural(HMF)
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/08/19
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 5-HMF, 5-Hydroxymethylfurfural
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/07/07
Inquire
  • Products:CBD,443998-65-0,16648-44-5,BMK,PMK
  • Tel:86-191-31911055
  • Email:admin@hbbocao.com
5-hydroxymethylfurfural, factory supply
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/06/07
Inquire