Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Custom Manufacturing  /  Syntheses Material Intermediates
butyl(dipentyl)phosphane sulfide structure
butyl(dipentyl)phosphane sulfide structure

butyl(dipentyl)phosphane sulfide

Iupac Name:2,2,2-trifluoroethyl 4-methylbenzenesulfonate
CAS No.:433-06-7
Molecular Weight:254.22617
1. Names and Identifiers
1.1 Name
butyl(dipentyl)phosphane sulfide
1.2 Synonyms

AC1L40V6 AC1Q7FHD butyldipentylphosphine sulfide butyl-dipentyl-sulfanylidene- butyl-dipentyl-sulfanylidene-lambda5-phosphane DTXSID10224876 n-butyldi-n-pentylphosphine sulfide nsc 222433 nsc222433 phosphine sulfide, butyldipentyl- wln: sp5&5&4

1.3 CAS No.
433-06-7
1.4 CID
67942
1.5 Molecular Formula
C24H19Cl3N2O6S (isomer)
1.6 Inchi
InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
1.7 InChkey
IGKCQDUYZULGBM-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F
1.9 Isomers Smiles
CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F
2. Properties
3.1 Density
1.52
3.2 Melting Point
38-41℃
3.3 Vapour
0.00418mmHg at 25°C
3.4 Refractive Index
1.521
3.5 Flash Point
160.8°C
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S37/39
4.3 HazardClass
IRRITANT
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:254.22617g/mol
  • Molecular Formula:C24H19Cl3N2O6S
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:254.02244980
  • Monoisotopic Mass:254.02244980
  • Complexity:310
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:51.8
  • Heavy Atom Count:16
  • 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
6. Recommended Suppliers
Global81SuppliersView all >>
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 2,2,2-Trifluoroethyl P-Toluenesulfonate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/04/27
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
2,2,2-Trifluoroethyl-p-toluenesulfonate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-188-74586545
CAS 433-06-7 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2019/03/26
Inquire
  • Products:o-phenylphenol,2-phenylphenol sodium,4-amino-3-fluorophenol,2-chloroethylamine hydrochloride
  • Tel:86-531-82312885
2,2,2-Trifluoroethyl-p-toluenesulfonate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/03
Inquire
2,2,2-Trifluoroethyl p-toluenesulphonate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/22
Inquire