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Home> Hot Product Listed E   > (E)-1-(2-CHLORO-5-THIAZOLYLMETHYL)-3-METHYL-2-NITROGUANIDINE
32221-81-1 structure

(E)-1-(2-CHLORO-5-THIAZOLYLMETHYL)-3-METHYL-2-NITROGUANIDINE

Iupac Name:sodium;4-amino-5-hydroxy-5-oxopentanoate
CAS No.:32221-81-1
Molecular Weight:169.112
Molecular Formula:C7H11CLN2O (isomer)
Names and Identifiers
Synonyms

1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine Clothianidin Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-

Inchi
InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1
InChkey
LPUQAYUQRXPFSQ-UHFFFAOYSA-M
Canonical Smiles
C(CC(=O)[O-])C(C(=O)O)N.[Na+]
Properties
Density
4.13 g/mL at 25 °C(lit.)
Flash Point
°Cat760mmHg
Solubility
Solubility in water: 0.304 (pH 4), 0.340 (pH 10) (both g/L, 20 deg C). In heptane less than 0.00104, xylene 0.0128, dichloromethane 1.32, methanol 6.26, octanol 0.938, acetone 15.2, ethyl acetate 2.03 (all in g/L, 25 deg C)
In water, 327 mg/L at 20 deg C
Color/Form
Colorless powder
Safety and Handling
Formulations/Preparations
Types of formulations: 96% technical product, 48% flowable concentrate end-use product.
Trade names: Clutch, Poncho, Dantotsu, Fullswing
Octanol/Water Partition Coefficient
log Kow = 0.7 at 25 deg
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:169.112g/mol
  • Molecular Formula:C7H11CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:169.035
  • Monoisotopic Mass:169.035
  • Complexity:149
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:103A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBiOCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAI AACQCAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAACsJgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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