Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Herbicide  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Agrochemicals & Pesticides  /  Organic Intermediates
1H-Pyrazole-5-carboxamide, 1-(3-chloro-2-pyridinyl)-N-[2-fluoro-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(2,2,2-trifluoroethoxy)- structure
1H-Pyrazole-5-carboxamide, 1-(3-chloro-2-pyridinyl)-N-[2-fluoro-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(2,2,2-trifluoroethoxy)- structure

1H-Pyrazole-5-carboxamide, 1-(3-chloro-2-pyridinyl)-N-[2-fluoro-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(2,2,2-trifluoroethoxy)-

Iupac Name:methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
CAS No.:101200-48-0
Molecular Weight:395.39
1. Names and Identifiers
1.1 Name
1H-Pyrazole-5-carboxamide, 1-(3-chloro-2-pyridinyl)-N-[2-fluoro-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(2,2,2-trifluoroethoxy)-
1.2 CAS No.
101200-48-0
1.3 CID
153909
1.4 Molecular Formula
C18H10Cl3F3N6O3 (isomer)
1.5 Inchi
InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
1.6 InChkey
VLCQZHSMCYCDJL-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
1.8 Isomers Smiles
CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
2. Properties
3.1 Melting point
141℃
3.1 Boiling point
638.5±55.0 °C(Predicted)
3.1 Refractive index
1.582
3.1 Vapour pressure
1.24 at pH 7 (25 °C)
3.1 Precise Quality
395.09000
3.1 PSA
149.06000
3.1 logP
1.98160
3.1 pKa
10.25±0.70(Predicted)
3. Safety and Handling
4.1 Symbol
GHS07, GHS09
4.1 Signal Word
Warning
4.1 Risk Statements
R43
4.1 Safety Statements
S22;S24
4.1 Hazard Declaration
H317-H410
4.1 RIDADR
UN 3077 9 / PGIII
4.1 Caution Statement
P273-P280-P333 + P313-P391-P501
4.1 WGK Germany
1
4.1 RTECS
DH3565000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P273 Avoid release to the environment.

Response

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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

P391 Collect spillage.

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:395.39g/mol
  • Molecular Formula:C18H10Cl3F3N6O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:395.08995445
  • Monoisotopic Mass:395.08995445
  • Complexity:639
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:149
  • Heavy Atom Count:27
  • 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
Global226SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Tribenuron methylCAS NO.: 101200-48-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 800 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
High purity Tribenuron methyl with good quality
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
High quality Herbicide Tribenuron Methyl 75%WDG 75% DF CAS 101200-48-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Tribenuron Methyl
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/03/06
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Tribenuron-methyl
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/kilogram
  • Time: 2022/04/28
Inquire