Amisulbrom, min.97% (HPLC)

Name: Amisulbrom
Brand: Chempure

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CAS Number

348635-87-0

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IUPAC name	3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
inchi	InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
inchi key	BREATYVWRHIPIY-UHFFFAOYSA-N
molecular formula	C13H13BrFN5O4S2
synonyms	Amisulbrom 348635-87-0 Amisulbrom [ISO] 3-((3-Bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide UNII-RM460IQC3A
Compound Description	Amisulbrom is a member of the class of bromoindoles that is 3-bromo-6-fluoro-2-methylindole substituted at position 1 by a 1--1,2,4-triazole-3-sulfonyl group. A fungicide for use on potatoes to control late blight and downy mildew [Plasmopara viticola). It has a low mammalian toxicity but it is considered to be a reproduction toxicant, is moderately toxic to birds and honey bees but poses a greater risk to aquatic species and earthworms. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a member of sulfamides, a sulfonamide, a member of triazoles, an organofluorine compound, a bromoindole, a sulfonamide fungicide and a triazole fungicide.

Computed Properties

Molecular Weight:	466.3 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	8
Rotatable Bond Count:	4
Exact Mass:	464.95764 Da
Monoisotopic Mass:	464.95764 Da
Topological Polar Surface Area:	124 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	741
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Eye Irrit. 2 (43.9%) Acute Tox. 4 (27.3%) Carc. 2 (43.9%) Aquatic Acute 1 (99.2%) Aquatic Chronic 1 (71.2%) Carcinogenicity - category 2 Eye irritation - category 2 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Carcinogenicity - Category 2 Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Carc. 2 Eye Irrit. 2 Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P203, P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P317, P318, P337+P317, P391, P405, and P501
hazard statements	H319 (43.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (27.3%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (43.9%): Suspected of causing cancer [Warning Carcinogenicity] H400 (99.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (71.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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About this item

IUPAC name	3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
inchi	InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
inchi key	BREATYVWRHIPIY-UHFFFAOYSA-N
molecular formula	C13H13BrFN5O4S2
synonyms	Amisulbrom 348635-87-0 Amisulbrom [ISO] 3-((3-Bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide UNII-RM460IQC3A
Compound Description	Amisulbrom is a member of the class of bromoindoles that is 3-bromo-6-fluoro-2-methylindole substituted at position 1 by a 1--1,2,4-triazole-3-sulfonyl group. A fungicide for use on potatoes to control late blight and downy mildew [Plasmopara viticola). It has a low mammalian toxicity but it is considered to be a reproduction toxicant, is moderately toxic to birds and honey bees but poses a greater risk to aquatic species and earthworms. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a member of sulfamides, a sulfonamide, a member of triazoles, an organofluorine compound, a bromoindole, a sulfonamide fungicide and a triazole fungicide.

Computed Properties

Molecular Weight:	466.3 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	8
Rotatable Bond Count:	4
Exact Mass:	464.95764 Da
Monoisotopic Mass:	464.95764 Da
Topological Polar Surface Area:	124 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	741
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Eye Irrit. 2 (43.9%) Acute Tox. 4 (27.3%) Carc. 2 (43.9%) Aquatic Acute 1 (99.2%) Aquatic Chronic 1 (71.2%) Carcinogenicity - category 2 Eye irritation - category 2 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Carcinogenicity - Category 2 Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Carc. 2 Eye Irrit. 2 Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P203, P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P317, P318, P337+P317, P391, P405, and P501
hazard statements	H319 (43.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (27.3%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (43.9%): Suspected of causing cancer [Warning Carcinogenicity] H400 (99.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (71.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Product No: DT7912

Amisulbrom, min.97% (HPLC)

Product No: DT7912

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: DT7912

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?