Tembo Acid

CAS Number: 120100-77-8

Molecular Formula: C11H10ClF3O5S

Purity: 97.72%

Tembotrione intermediateSpecialty & Advanced IntermediatesKey Functional Group: Carboxylic Acid (-COOH)Iodo/Fluoro-Functional IntermediatesAromatic Carboxylic Acids & DerivativesEnd-Use:Fenquinotrione & Tembotrione TechnicalSynthesis Cyclosulfonone AntiepilepticTriketone Group Herbicide Intermediates

About Tembo Acid

Tembo Acid (2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoic acid) is a high-speciality fluorinated aromatic carboxylic acid. Within the Agrochemical hierarchy, it is the fundamental "Active Core" used to synthesise the next generation of HPPD-inhibitor herbicides. Design allows for the selective co...

Synonyms

2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid
Benzoic acid, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]-
2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoic acid
EC 619-779-9
(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoic acid)

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Tembo Acid Specifications

CAS Number

120100-77-8

Molecular Formula

C11H10ClF3O5S

Molecular Weight

346.71

IUPAC Name

2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoic acid

Canonical SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COCC(F)(F)F

InChI Key

YGMJOCQCLVNPOD-UHFFFAOYSA-N

PubChem CID

15132895

MDL Number

MFCD34561974

HSN No

29163990

CAS Number

120100-77-8

Molecular Formula

C11H10ClF3O5S

Molecular Weight

346.71

IUPAC Name

2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoic acid

Canonical SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COCC(F)(F)F

InChI Key

YGMJOCQCLVNPOD-UHFFFAOYSA-N

PubChem CID

15132895

MDL Number

MFCD34561974

HSN No

29163990

Molecular Weight

346.71

Boiling Point (Predicted)

484.779±45.00°C Press: 760.00 Torr

Density (Predicted)

1.522±0.06 g/cm3 Temp: 25 °C; Press: 760 Torr

pKa (Predicted)

2.020±0.28 pkaType: Most Acidic; Temp: 25 °C

Tembo Acid Purity by HPLC (w/w)

97.72%

Hazard Classes and Categories

Skin Sens. 1 (100%)

Precautionary Statement Codes

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Agrochemicals: HPPD Inhibitor Herbicides

Benzoic acid-direct precursor-several HPPD-inhibitor herbicides. Works by blocking the enzyme responsible for carotenoid biosynthesis in plants, leading to "bleaching" and eventual death of the weed. Effectiveness against broadleaf weeds in rice and cereal crops

Specialty Chemicals: Fluorinated Building Blocks

Trifluoroethoxy (CF₃CH₂O-) moiety provides unique lipophilicity and metabolic stability. Intermediate is used in high-end chemical research to study the effects of specific fluorine placement on the bioavailability of aromatic compounds

Industrial Synthesis: Poly-functionalized Templates

Contains a carboxylic acid, a chloro group, and a sulfone, this molecule serves as a "scaffold" for multi-step organic synthesis, allowing for selective substitution at different positions on the ring

COA

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