3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid supplier

Name
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
EINECS
CAS No. 176969-34-9
Article Data75
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point
Formula C₆H₆F₂N₂O₂
Boiling Point 315.9 °C at 760 mmHg
Molecular Weight 176.123
Flash Point 144.851 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylicacid;3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid;
PSA 55.12000
LogP 1.05590

Synthetic route

: 1-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)ethan-1-one

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With manganese(II) acetate dihydrate; acetic acid at 100℃; for 18h; Reagent/catalyst;	100%
With sodium hypochlorite; sodium hydroxide In water at 70℃; for 2h; Temperature; Reagent/catalyst;	98%
With sodium hypochlorite In water at 0℃; for 0.166667h; Temperature; Time;	98%

: 141573-95-7
ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In toluene at 65℃; for 0.75h;	98%
With sodium hydroxide In ethanol; water at 50 - 80℃; for 3h;	95%
With water; sodium hydroxide	95%

: hexylene glycol bis((3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)carboxylate)

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In methanol at 60℃; for 4h;	96.3%

: 141573-96-8
3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride

: 1263184-89-9
C12H13Cl2NO

A: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

B: benzovindiflupyr

Conditions

Conditions	Yield
Stage #1: 3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride; C12H13Cl2NO With triethylamine In 1,4-dioxane at 25 - 82℃; for 3h; Stage #2: With sodium hydroxide In tert-butyl methyl ether; water for 0.5h; Stage #3: With hydrogenchloride In tert-butyl methyl ether; water	A 96% B 92%

...Expand

: 1049772-84-0
3-difluoromethyl-1-methyl-1H-pyrazole-4-carbonitrile

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 90 - 100℃;	95%
Stage #1: 3-difluoromethyl-1-methyl-1H-pyrazole-4-carbonitrile With water; sodium hydroxide at 95℃; for 4h; Stage #2: With hydrogenchloride; water at 20℃; Cooling with ice;	92%
With water; sodium hydroxide In methanol for 2h; Solvent; Reflux; Further stages;	92.1%
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In water; toluene at 70℃; for 8h;

: hexyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 60℃; for 2h;	95%

: methyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With manganese(II) nitrate; oxygen; acetic acid; ferric nitrate at 80℃; for 20h;	95%

: 3-(difluoromethyl)-1-methyl-4-(1,3-dioxolan-2-yl)-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-4-(1,3-dioxolan-2-yl)-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With dihydrogen peroxide In water at 10 - 100℃; for 5h; Reagent/catalyst;	93.2%

: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxan-2-yl)-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxan-2-yl)-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With dihydrogen peroxide In water at 10 - 100℃; for 5h;	92.3%

: ethylene glycol bis((3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)carboxylate)

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In methanol at 60℃; for 4h; Reagent/catalyst;	92%

: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxepan-2-yl)-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxepan-2-yl)-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With dihydrogen peroxide In water at 10 - 100℃; for 5h;	92%

: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With sodium hypochlorite In water at 10 - 100℃; for 5h;	91.8%

: 3-(difluoromethyl)-4-(1,3-dioxan-2-yl)-1-methyl-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-4-(1,3-dioxan-2-yl)-1-methyl-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With dihydrogen peroxide In water at 10 - 100℃; for 5h; Reagent/catalyst;	91.6%

: 3-(difluoromethyl)-1-methyl-4-(1,3-dioxepan-2-yl)-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-4-(1,3-dioxepan-2-yl)-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With dihydrogen peroxide In water at 10 - 100℃; for 5h; Reagent/catalyst;	91.5%

: 1094484-55-5
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium hypochlorite at 10 - 100℃; for 5h;	91.3%
Stage #1: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde With sodium hydroxide; dihydrogen peroxide In water at 40 - 45℃; for 1.5h; Stage #2: With hydrogenchloride In water pH=2.5; Product distribution / selectivity;	69 %Chromat.
With copper(II) oxide; sodium hydroxide In water at 25 - 30℃; for 24h;	32 g

: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxetan-2-yl)-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-4-(2-methyl-1,3-dioxetan-2-yl)-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With sodium hypochlorite In water at 10 - 100℃; for 5h; Reagent/catalyst;	91.3%

: 2,2-dichloro-1-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)ethanone

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium hypochlorite; water In chloroform at 24℃; for 4h; Reagent/catalyst; Inert atmosphere;	91%
With sodium hypochlorite; sodium hydroxide In water at 22 - 70℃; for 2h;

: 3-(difluoromethyl)-4-(1,3-dioxetan-2-yl)-1-methyl-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-4-(1,3-dioxetan-2-yl)-1-methyl-1H-pyrazole With hydrogenchloride In water at 50 - 60℃; for 5h; Stage #2: With sodium hypochlorite In water at 10 - 100℃; for 5h; Reagent/catalyst;	91%

: methyl-3-(dichloromethyl)-1-methyl-1H-pyrazole-4-carboxylate

A: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

B: 1204298-65-6
5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With 1,3-dimethyl-2-imidazolidinone; hydrogen fluoride; triethylamine at 125 - 155℃; Reagent/catalyst; Temperature; Concentration; Autoclave;	A 90.1% B n/a

: 3-(difluoromethyl)-4-(furan-2-yl)-1-methyl-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium periodate; rhodium(III) chloride hydrate In tetrachloromethane; water; acetonitrile at 20℃; for 0.75h;	90%

: 3-bromo-1-methyl-1H-pyrazole-4-carboxylic acid

: difluoromethylboronic acid

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 65 - 75℃; for 1.5h; Solvent; Reagent/catalyst; Inert atmosphere;	89.2%

: (E/Z)-ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate

: 60-34-4
methylhydrazine

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: methylhydrazine With benzaldehyde In water; toluene at 25 - 60℃; for 6.16667h; Inert atmosphere; Stage #2: (E/Z)-ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate In water; toluene at 20 - 30℃; for 19h; Product distribution / selectivity;	86.1%

: 1089212-38-3
4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole

: 124-38-9
carbon dioxide

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 4-bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole With TurboGrignard In 2-methyltetrahydrofuran at -5℃; for 2h; Inert atmosphere; Heating; Stage #2: carbon dioxide In 2-methyltetrahydrofuran at -25 - 0℃; for 5h; Reagent/catalyst; Solvent; Inert atmosphere;	84.6%

: 352-24-9
ethyl 4,4-difluoro-3-oxobutyrate

: 60-34-4
methylhydrazine

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: ethyl 4,4-difluoro-3-oxobutyrate With calcium acetate; orthoformic acid triethyl ester at 100 - 110℃; for 2h; Stage #2: methylhydrazine With sodium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene; water at 10 - 20℃; for 0.5h;	83.3%

: 124-38-9
carbon dioxide

: 3-(difluoromethyl)-4-iodo-1-methyl-1H-pyrazole

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-4-iodo-1-methyl-1H-pyrazole With isopropylmagnesium chloride In tetrahydrofuran at -5℃; for 2h; Inert atmosphere; Heating; Stage #2: carbon dioxide With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at -25 - 0℃; for 5h; Inert atmosphere;	83.2%

: potassium 2-difluoroacetyl-3-(diethylamino)acrylate

: 60-34-4
methylhydrazine

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With potassium iodide In water at -30 - -20℃; for 2h; Inert atmosphere;	79.6%

: sodium 2-difluoroacetyl-3-(dimethylamino)acrylate

: 60-34-4
methylhydrazine

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium iodide In water at -30 - 20℃; for 2h; Inert atmosphere;	78.3%

: sodium 2-difluoroacetyl-3-(diethylamino)acrylate

: 60-34-4
methylhydrazine

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium iodide at -30 - -25℃; for 2h; Inert atmosphere;	77.1%

: potassium 2-difluoroacetyl-3-(dimethylamino)acrylate

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With methylhydrazine; potassium iodide In water at -30 - -20℃; for 2h; Inert atmosphere;	75.9%

: sodium 2-difluoroacetyl-3-(2,2,6,6-tetramethylpiperidin-1yl)acrylate

: 60-34-4
methylhydrazine

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Conditions

Conditions	Yield
With sodium iodide at -30 - -20℃; for 2h; Inert atmosphere;	75.8%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: 141573-96-8
3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride

Conditions

Conditions	Yield
With thionyl chloride In chlorobenzene at 110℃; for 3h;	98%
With thionyl chloride In toluene at 90℃;	92.1%
With thionyl chloride; N,N-dimethyl-formamide In 1,2-dichloro-ethane for 5h; Reflux;	90%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: 925689-10-7
1-methyl-3-(difluoromethyl)-1H-pyrazole-4-amide

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 0.5h; Stage #2: With ammonium hydroxide In dichloromethane Cooling with ice;	98%
Multi-step reaction with 2 steps 1: thionyl chloride / 4 h / Reflux 2: ammonium hydroxide / dichloromethane / 4 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / 4 h / Reflux 2: ammonium hydroxide / tetrahydrofuran View Scheme
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 0.5 h / 20 °C 2: ammonium hydroxide / dichloromethane / 0 °C View Scheme
Stage #1: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: With ammonium hydroxide at 0 - 20℃;

: 67-56-1
methanol

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: methyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

Conditions

Conditions	Yield
With sulfuric acid at 75℃; for 8h;	97.2%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: 75-65-0
tert-butyl alcohol

: tert-butyl (3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)carbamate

Conditions

Conditions	Yield
With diphenylphosphoranyl azide; N-ethyl-N,N-diisopropylamine at 20 - 90℃; for 4.16667h; Inert atmosphere;	94%
With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine at 20 - 90℃; for 4.16667h; Curtius Rearrangement; Inert atmosphere;	94%
With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine at 20 - 90℃; for 4.5h; Inert atmosphere;	91%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: 5-amino-9-syn-isopropyl-benzonorbornene

: C20H23F2N3O

Conditions

Conditions	Yield
With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine In dichloromethane at 20℃; for 21h;	92.6%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: C14H19N

: C20H23F2N3O

Conditions

Conditions	Yield
With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine In dichloromethane at 20℃; for 3h;	91.7%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: tert-butyl (3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)carbamate

Conditions

Conditions	Yield
With diphenylphosphoranyl azide; N-ethyl-N,N-diisopropylamine In tert-butyl alcohol at 20 - 90℃; for 4.5h; Inert atmosphere;	91%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: N-methoxy,N-methyl-1-methyl-3-(difluoromethyl)-1H-pyrazole-4-carboxylic amide

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 0.5h; Stage #2: N,O-dimethylhydroxylamine*hydrochloride In dichloromethane at 20℃;	91%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃;	91%

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: 3-(difluoromethyl)-4-iodo-1-methyl-1H-pyrazole

Conditions

Conditions	Yield
With potassium iodate; sulfuric acid; iodine; acetic acid In sulfolane at 45 - 60℃; for 1.33h;	90%
Multi-step reaction with 3 steps 1.1: diphenylphosphoranyl azide; N-ethyl-N,N-diisopropylamine / 4.17 h / 20 - 90 °C / Inert atmosphere 2.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C 3.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 °C 3.2: 0.5 h View Scheme
Multi-step reaction with 3 steps 1.1: N-ethyl-N,N-diisopropylamine; diphenyl phosphoryl azide / 4.17 h / 20 - 90 °C / Inert atmosphere 2.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C 3.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 °C 3.2: 0.5 h / 20 °C View Scheme

: 176969-34-9
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

: C12H17BrN2O2S

: N-(2-bromophenyl)-2-(1-methyl-3-difluoromethyl-1H-pyrazole-4-carboxylamino)-cyclohexylsulfonamide

Conditions

Conditions	Yield
Stage #1: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere; Stage #2: C12H17BrN2O2S In dichloromethane at 0℃; for 3h; Inert atmosphere;	90%

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Specification

The 1H-Pyrazole-4-carboxylicacid, 3-(difluoromethyl)-1-methyl-, with the CAS registry number 176969-34-9, is also known as 3-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid. It belongs to the product categories of Building Blocks; Pyrazole. This chemical's molecular formula is C₆H₆F₂N₂O₂ and molecular weight is 176.121. What's more, its systematic name is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid.

Physical properties about 1H-Pyrazole-4-carboxylicacid, 3-(difluoromethyl)-1-methyl- are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10) Polar Surface Area: 55.12 Å²; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 35.91 cm³; (13)Molar Volume: 115.5 cm³; (14)Polarizability: 14.23×10^-24 cm³; (15)Surface Tension: 39.2 dyne/cm; (16)Density: 1.52 g/cm³; (17)Flash Point: 144.9 °C; (18)Enthalpy of Vaporization: 58.83 kJ/mol; (19)Boiling Point: 315.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000179 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cn(C)nc1C(F)F
(2) InChI: InChI=1/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
(3) InChIKey: RLOHOBNEYHBZID-UHFFFAOYAG

Product Name

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Synthetic route

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Specification

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