Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester

Basic Information

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CAS Number

117337-19-6

Molecular Formula

C15H15ClFN3O3S2

Molecular Weight

403.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

104.6°

SMILES

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COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl

InChI

InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3

InChIKey

ZCNQYNHDVRPZIH-UHFFFAOYSA-N

LogP

log Kow = 3.77

Topological Polar Surface Area

65.59 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

568

Safety Information

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Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Toxicity

LD50 in rats (mg/kg): >5000 orally; >2000 dermally (Miyazawa)

Synonyms & References

English

Action
Fluthiacet-methyl, PESTANAL(R), analytical standard
FLUTHIACET-METHYL [HSDB]
FLUTHIACET METHYL ESTER
Fluthiacet-methyl
2-((2-CHLORO-4-FLUORO-5-((TETRAHYDRO-3-OXO-1H,3H-(1,3,4)THIADIAZOLO(3,4-A)PYRIDAZIN-1-YLIDENE)AMINO)PHENYL)THIO)ACETIC ACID METHYL ESTER
SCHEMBL39080
(Z)-methyl 2-(2-chloro-4-fluoro-5-(3-oxotetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1(3H)-ylideneamino)phenylthio)acetate
HSDB 7270
NS00003833
CGA-248757
Q1434399
methyl [(2-chloro-4-fluoro-5-{[(1Z)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate
Fluthiacet-?methyl
NCGC00168312-02
Acetic acid, ((2-chloro-4-fluoro-5-((tetrahydro-3-oxo-1H,3H-(1,3,4)thiadiazolo(3,4-a)pyridazin-1-ylidene)amino)phenyl)thio)-, methyl ester
CHEBI:5133
CAS-117337-19-6
ZCNQYNHDVRPZIH-UHFFFAOYSA-N
CGA 248757
FLUTHIACET-METHYL [MI]
ACETIC ACID, 2-((2-CHLORO-4-FLUORO-5-((TETRAHYDRO-3-OXO-1H,3H-(1,3,4)THIADIAZOLO(3,4-A)PYRIDAZIN-1-YLIDENE)AMINO)PHENYL)THIO)-, METHYL ESTER
SCHEMBL9048322
KIH 9201
methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate
FT-0631087
NCGC00254738-01
9-(4-CHLORO-2-FLUORO-5-METHOXYCARBONYLMETHYLTHIOPHENYLIMINO)-8-THIA-1,6-DIAZABICYCLO-(4.3.0)NONANE-7-ONE
Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-yliden
NCGC00168312-01
Fluthiacet-methyl [ISO]

MDL Number

MFCD03792701

Customs Code

2930909056

FAQ

What regulatory guidelines apply to Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6)?

Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6) should comply with various regulatory guidelines including GHS (Global Harmonized System of Classification and Labeling of Chemicals) for classification and labeling, REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) for substance information, and FDA/EPA requirements for specific uses and handling. These regulations cover everything from storage to disposal and environmental protection.

Are there alternatives to Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6) in synthesis?

While specific alternatives may depend on the exact synthesis process, general reagents like chloroacetic acid or fluoroacetic acid can serve as substitutes. Other alternatives include using isomers or analogs of the target compound. It is crucial to evaluate these alternatives for safety, efficacy, and cost-effectiveness.

What is the market or research trend for Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6)?

Research trends for Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6) are currently focused on its potential applications in pharmaceuticals and materials science. Market trends suggest increased interest due to its unique chemical properties. However, the market size and demand are still limited, reflecting ongoing research efforts.

How should waste containing Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6) be handled?

Waste containing Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester (CAS: 117337-19-6) should be collected in appropriate containers and stored safely to prevent exposure. Professional disposal methods, such as incineration or chemical treatment, are recommended. Ensure proper environmental protection measures are taken to avoid contamination of soil and water sources. Compliance with local regulations is essential for safe waste management.