Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceuticals and Biochemicals  /  Others  /  Organic Intermediate  /  Pharmaceutical
Carbanilic acid,4-chloro-3-(trifluoromethyl)-, furfuryl ester (8CI) structure
Carbanilic acid,4-chloro-3-(trifluoromethyl)-, furfuryl ester (8CI) structure

Carbanilic acid,4-chloro-3-(trifluoromethyl)-, furfuryl ester (8CI)

Iupac Name:(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CAS No.:486460-32-6
Molecular Weight:407.31400
1. Names and Identifiers
1.1 Name
Carbanilic acid,4-chloro-3-(trifluoromethyl)-, furfuryl ester (8CI)
1.2 Synonyms

25194-44-9 AC1L7GUE DTXSID40309706 furan-2-ylmethyl n-[4-chloro-3-(trifluoromethyl)phenyl]carba furan-2-ylmethyl n-[4-chloro-3-(trifluoromethyl)phenyl]carbamate Furfurylalcohol, 4-chloro-3-(trifluoromethyl)carbanilate (8CI) HE328811 NSC 213733 nsc213733

1.3 CAS No.
486460-32-6
1.4 CID
4369359
1.5 EINECS(EC#)
249-591-9
1.6 Molecular Formula
C10H16 (isomer)
1.7 Inchi
InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
1.8 InChkey
MFFMDFFZMYYVKS-SECBINFHSA-N
1.9 Canonical Smiles
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
1.10 Isomers Smiles
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N
2. Properties
3.1 Boiling Point
368.3°C at 760 mmHg
3.2 Refractive Index
1.59
3.3 Flash Point
52.8°C
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P314 Get medical advice/attention if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

4. Computational chemical data
  • Molecular Weight:407.31400g/mol
  • Molecular Formula:C10H16
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.7
  • Exact Mass:407.11807909
  • Monoisotopic Mass:407.11807909
  • Complexity:566
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:77
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Question & Answer
  • What is sitagliptin? Apr 09 2021
    What is sitagliptin? Sitagliptin is a prescription drug. It comes as an oral tablet.Sitagliptin oral tablet is available as the brand-name drug Januvia. It’s not available as a generic drug.Sitagliptin may be used as part of a combination therapy. That means you may need to take it with other...
6. Recommended Suppliers
Global224SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory supply sitagliptin Cas 486460-32-6 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/07/05
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory supply Sitagliptin Cas 486460-32-6 with high quality and best price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 575 USD/Kilogram
  • Time: 2020/01/07
Inquire
  • Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
  • Tel:0086-317-5296180
  • Email:sale@enkepharma.com
Sitagliptin
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 111 USD/Kilogram
  • Time: 2021/09/26
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Sitagliptin
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire