CAS No.79622-59-6,Fluazinam Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	79622-59-6
Name:	Fluazinam
Article Data:	14

Formula:	C₁₃H₄Cl₂F₆N₄O₄
Molecular Weight:	465.096
Synonyms:	Frowncide;Frowncide SC;IKF 1216;Mapro;PP 192;Shirlan (Zeneca);ASC66825;ASC 67178;Altima;
EINECS:	200-835-2
Density:	1.766 g/cm³
Melting Point:	113 °C
Boiling Point:	376.1 °C at 760 mmHg
Flash Point:	181.3 °C
Solubility:	1.7 mg l-1 (25 °C)
Appearance:	Light yellow crystals
Hazard Symbols:	T,N
Risk Codes:	23-41-43-50/53-36-20/21/22-11
Safety:	26-36/37/39-45-60-61-36/37-16
Transport Information:	UN 2811
PSA:	116.56000
LogP:	7.10540

Synthetic route

: 29091-09-6
2,4-dichloro-3,5-dinitro-benzotrifluoride

: 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine

: 79622-59-6
fluazinam

Conditions

Conditions	Yield
With potassium hydroxide In 2-methyltetrahydrofuran at 20℃; for 4h; Concentration; Temperature; Solvent;	98%
Stage #1: 2,4-dichloro-3,5-dinitro-benzotrifluoride; 2-amino-3-chloro-5-(trifluoromethyl)pyridine With methoxybenzene; potassium hydroxide at 55℃; for 6h; Stage #2: With hydrogenchloride at 85℃; pH=3.7; Temperature; Reagent/catalyst; pH-value;	98.5%
With edetate disodium; potassium hydroxide In acetonitrile at 0 - 5℃; for 3h; Reagent/catalyst; Temperature;	97.5%

: 3099-50-1
3-trichloromethyl-pyridine

: 79622-59-6
fluazinam

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: phosphorus pentachloride / 16 h / 210 °C / Autoclave 2: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 3: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 4: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme
Multi-step reaction with 5 steps 1: phosphorus pentachloride / 16 h / 210 °C / Autoclave 2: phosphorus pentachloride / 16 h / 210 °C / Autoclave 3: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 4: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 5: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme

: 5-chloro-3-trichloromethyl pyridine

: 79622-59-6
fluazinam

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: phosphorus pentachloride / 16 h / 210 °C / Autoclave 2: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 3: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 4: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme

: 59-67-6
nicotinic acid

: 79622-59-6
fluazinam

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: phosphorus pentachloride / 14 h / 210 °C / 1500.15 - 27752.8 Torr / Autoclave 2: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 3: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 4: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme
Multi-step reaction with 4 steps 1: phosphorus pentachloride / 64 h / 185 °C / 18751.9 - 30003 Torr / Autoclave 2: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 3: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 4: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme
Multi-step reaction with 4 steps 1: phosphorus pentachloride / 72 h / 185 °C / 18751.9 - 30003 Torr / Autoclave 2: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 3: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 4: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme

: 69045-83-6
2,3-dichloro-5-(trichloromethyl)pyridine

: 79622-59-6
fluazinam

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 2: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave 3: potassium hydroxide / acetonitrile / 6.25 h / 5 - 40 °C View Scheme

: 69045-84-7
2,3-dichloro-5-trifluoromethylpyridine

: 79622-59-6
fluazinam

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: ammonia / tetrahydrofuran / 28 h / 100 °C / 4500.45 - 12001.2 Torr / Autoclave; Inert atmosphere 2.1: potassium hydroxide / tetrahydrofuran / 1 h / 0 - 5 °C 2.2: 3.5 h / 0 - 10 °C View Scheme

: 39716-58-0
pent-4-enoyl chloride

: 79622-59-6
fluazinam

: C18H10Cl2F6N4O5

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 25℃; for 19h;	70%

: 39716-58-0
pent-4-enoyl chloride

: 79622-59-6
fluazinam

: C30H17Cl2F6N4O5S2(1+)*BF4(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 19 h / 0 - 25 °C 2: trifluoroacetic anhydride; trifluoroacetic acid / acetonitrile / 1.25 h / 0 °C / Inert atmosphere View Scheme

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Chemistry

Product Name: Fluazinam (CAS NO.79622-59-6)

Molecular Formula:C₁₃H₄Cl₂F₆N₄O₄
Molar mass:465.091679g/mol
Density:1.766 g/cm³
Melting point:113°C
Boiling Point:376.1 °C at 760 mmHg
Index of Refraction:1.571
Vapour Pressure:7.41E-06 mmHg at 25°C
Storage temp:2-8°C
Index of Refraction: 1.571
Molar Refractivity: 86.55 cm³
Molar Volume: 263.3 cm³
XLogP3-AA: 6
H-Bond Donor: 1
H-Bond Acceptor: 12
Structure Descriptors of Fluazinam (CAS NO.79622-59-6):
IUPAC Name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
Canonical SMILES: C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C
(F)(F)F
InChI: InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
InChIKey: UZCGKGPEKUCDTF-UHFFFAOYSA-N
Product Categories: API intermediates

Uses

Fluazinam (CAS NO.79622-59-6) is very effective to Botrytis genus Phytophthora, Plasmopara genus Sclerotinia spp and Cladosporium spp bacteria.

Toxicity Data With Reference

1.		orl-qal LD50:1782 mg/kg		HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.
2.		ihl-rat LC50:470 mg/m3		HBPTO* Handbook of pesticide toxicology. 2 (2001),1229.

Safety Profile

Moderately toxic by ingestion and inhalation. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x, F⁻, and Cl⁻.
Safety Information of Fluazinam (CAS NO.79622-59-6):
Hazard Codes:T;N,N,T,Xn,F
Risk Statements:
11: Highly Flammable
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
23: Toxic by inhalation
36: Irritating to the eyes
41: Risk of serious damage to eyes
43: May cause sensitization by skin contact
50: Very Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements:
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet

Specification

Fluazinam , its CAS NO. is 79622-59-6, the synonyms are 3-Chloro-n-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2-pyridinamine ; 3-Chloro-n-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-2-pyridinamin ; Frowncide ; Shirlan Flow ; Shirlan (Zeneca) ; Fluazinam solution .