Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Fungicide  /  Pharmaceutical Intermediates  /  Disinfectant and Preservatives  /  Organic Intermediates  /  Agrochemical Intermediates
Thailanstatin C structure
Thailanstatin C structure

Thailanstatin C

Iupac Name:bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
CAS No.:85509-19-9
Molecular Weight:315.39300
1. Names and Identifiers
1.1 Name
Thailanstatin C
1.2 CAS No.
85509-19-9
1.3 CID
73675
1.4 Molecular Formula
C23H37NO3SI (isomer)
1.5 Inchi
InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
1.6 InChkey
FQKUGOMFVDPBIZ-UHFFFAOYSA-N
1.7 Canonical Smiles
C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
1.8 Isomers Smiles
C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
2. 3D Conformer
3. Properties
3.1 Melting Point
51-53ºC
3.2 Refractive Index
1.563
4. Safety and Handling
4.1 Risk Statements
R61; R22; R40; R51/53
4.2 Safety Statements
S53-S45-S61
4.3 Transport
UN 2588
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H351 Suspected of causing cancer

H411 Toxic to aquatic life with long lasting effects

H360D

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.

P273 Avoid release to the environment.

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.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:315.39300g/mol
  • Molecular Formula:C23H37NO3SI
  • Compound Is Canonicalized:True
  • Exact Mass:315.1
  • Monoisotopic Mass:315.1
  • Complexity:333
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:30.7A^2
  • Heavy Atom Count:22
  • 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: AAADccB7AYgAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHRAIAAAACACAMAx3EIYIEAGi ACBDJAASAAswgIANyAAIAIiIKCKAERCAIAAogAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Similar Structures Products
8. Recommended Suppliers
Global129SuppliersView all >>
  • Products:CBD,443998-65-0,16648-44-5,BMK,PMK
  • Tel:86-191-31911055
  • Email:admin@hbbocao.com
Factory supply High quality flusilazole CAS No. 85509-19-9
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/09/30
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory supply High quality flusilazole CAS No. 85509-19-9
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/10
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
High Quality Flusilazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/11/27
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
flusilazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Bipyridines, terpyridines, phenanthrolines, thiophenes, fluorenes derivatives, and related chemicals. And also we provide service for customer synthesis, process development.
  • Tel:086-021-31615209
Flusilazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 50 USD/Kilogram
  • Time: 2017/11/13
Inquire