Vigil (CAS 84709-82-0): properties, price, suppliers and safety

What is Vigil?

Plain description, key identifiers and synonyms

Vigil is a chemical substance with the molecular formula C15H19Cl2N3O and a molar mass of 328.24 g/mol. Its CAS registry number is 84709-82-0. The IUPAC name is (2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CAS number: 84709-82-0Other or deprecated CAS: 75736-33-3
Molecular formula: C₁₅H₁₉Cl₂N₃O
UNII: G0E609666R
InChIKey: URDNHJIVMYZFRT-KGLIPLIRSA-N
InChI: InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3/t13-,14+/m1/s1
Canonical SMILES: CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1
Isomeric SMILES: CC(C)(C)[C@H]([C@@H](CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O

Synonyms

Dichlobutrazol
Diclobutrazol
1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
(2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
PP 296
1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-
(2RS,3RS)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
(R*,R*)-(+-)-beta-((2,4-Dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (R*,R*)-
1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (R*,R*)-(+-)-
1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-
rel-(alphaR,betaR)-beta-[(2,4-Dichlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	328.24 g/molcalc.
Exact mass	327.0905 Dacalc.
LogP (octanol/water)	3.78calc.
Topological polar surface area	50.94 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	3calc.
Rotatable bonds	4calc.
Heavy atoms	21calc.
Rings	2calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.47calc.
Formal charge	0calc.
Stereocentres	2calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

c1ccc(CCn2cncn2)cc1

2 rings, 13 atoms, the 1-(2-Phenylethyl)-1H-1,2,4-triazole ring system.

206 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vigil suppliers

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Vigil price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vigil is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024

$12.1B

−31.0% vs 2023, imports $28.8B

2019 to 2024

Top exporters

China30.5%
India * partner reported16.3%
Ireland9.0%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Vigil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

Diclobutrazol chemical structure, C15H19Cl2N3O, CAS 75736-33-3

Diclobutrazol75736-33-3C₁₅H₁₉Cl₂N₃O

1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphaS,betaS)- chemical structure, C15H19Cl2N3O, CAS 84709-81-9

1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphaS,betaS)-84709-81-9C₁₅H₁₉Cl₂N₃O

Rel-(2S,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol chemical structure, C15H19Cl2N3O, CAS 76673-44-4

Rel-(2S,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol76673-44-4C₁₅H₁₉Cl₂N₃O

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

1-(2-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanol chemical structure, C15H20ClN3O, CAS 66345-66-2

Paclobutrazol chemical structure, C15H20ClN3O, CAS 76738-62-0

(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol chemical structure, C15H20ClN3O, CAS 82336-55-8

1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (S-(R*,S*))- chemical structure, C15H20ClN3O, CAS 98169-53-0

1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)- chemical structure, C15H20ClN3O, CAS 66346-04-1

1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (R-(R*,S*))- chemical structure, C15H20ClN3O, CAS 66345-53-7

Carbendazim/dicyclobutrazol chemical structure, C24H28Cl2N6O3, CAS 96053-91-7

Same formula isomers

Different compounds that share this molecular formula

All isomers

Bersiporocin chemical structure, C15H19Cl2N3O, CAS 2241808-52-4

Bersiporocin2241808-52-4C₁₅H₁₉Cl₂N₃O

N-(3,5-Dichloro-2-ethoxybenzyl)-3-(1H-imidazol-1-yl)propan-1-amine chemical structure, C15H19Cl2N3O, CAS 940200-76-0

N-(3,5-Dichloro-2-ethoxybenzyl)-3-(1H-imidazol-1-yl)propan-1-amine940200-76-0C₁₅H₁₉Cl₂N₃O

2-Methyl-4-(piperazine-1-carbonyl)quinoline dihydrochloride chemical structure, C15H19Cl2N3O, CAS 1221723-29-0

2-Methyl-4-(piperazine-1-carbonyl)quinoline dihydrochloride1221723-29-0C₁₅H₁₉Cl₂N₃O

3(2H)-Pyridazinone, 6-(p-chlorophenyl)-2-(2-dimethylaminoethyl)-4-methyl-, hydrochloride chemical structure, C15H19Cl2N3O, CAS 29242-43-1

3(2H)-Pyridazinone, 6-(p-chlorophenyl)-2-(2-dimethylaminoethyl)-4-methyl-, hydrochloride29242-43-1C₁₅H₁₉Cl₂N₃O

2-Amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride chemical structure, C15H19Cl2N3O, CAS 1423025-93-7

2-Amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide dihydrochloride1423025-93-7C₁₅H₁₉Cl₂N₃O

N-Cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetamide chemical structure, C15H19Cl2N3O, CAS 896237-22-2

N-Cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetamide896237-22-2C₁₅H₁₉Cl₂N₃O

1-(2,5-Dichlorophenyl)-4-(1-pyrrolidinylcarbonyl)piperazine chemical structure, C15H19Cl2N3O, CAS 942877-38-5

1-(2,5-Dichlorophenyl)-4-(1-pyrrolidinylcarbonyl)piperazine942877-38-5C₁₅H₁₉Cl₂N₃O

(2S)-2-Amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide dihydrochloride chemical structure, C15H19Cl2N3O, CAS 1423015-66-0

(2S)-2-Amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide dihydrochloride1423015-66-0C₁₅H₁₉Cl₂N₃O

N-(1-Cyano-1,2-dimethylpropyl)-2-[(2,6-dichloro-3-methylphenyl)amino]acetamide chemical structure, C15H19Cl2N3O, CAS 1808539-26-5

N-(1-Cyano-1,2-dimethylpropyl)-2-[(2,6-dichloro-3-methylphenyl)amino]acetamide1808539-26-5C₁₅H₁₉Cl₂N₃O

Hydrazine, 1-isonicotinoyl-2-(alpha-methylphenethyl)-, dihydrochloride chemical structure, C15H19Cl2N3O, CAS 1447-98-9

Hydrazine, 1-isonicotinoyl-2-(alpha-methylphenethyl)-, dihydrochloride1447-98-9C₁₅H₁₉Cl₂N₃O

Acetamide, N-tert-butyl-2-(7-chloro-4-quinolylamino)-, monohydrochloride chemical structure, C15H19Cl2N3O, CAS 80008-12-4

Acetamide, N-tert-butyl-2-(7-chloro-4-quinolylamino)-, monohydrochloride80008-12-4C₁₅H₁₉Cl₂N₃O

1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-(3-(1-pyrrolidinyl)propyl)-, hydrochloride chemical structure, C15H19Cl2N3O, CAS 97377-85-0

1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-(3-(1-pyrrolidinyl)propyl)-, hydrochloride97377-85-0C₁₅H₁₉Cl₂N₃O

Frequently asked questions

Quick answers about Vigil, based on the data on this page

What is Vigil?

Vigil is a chemical substance with the molecular formula C15H19Cl2N3O and a molar mass of 328.24 g/mol. Its CAS registry number is 84709-82-0. The IUPAC name is (2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.

What is the CAS number of Vigil?

The CAS registry number of Vigil is 84709-82-0. Other or deprecated CAS numbers: 75736-33-3.

What is the molecular formula and weight of Vigil?

The molecular formula of Vigil is C15H19Cl2N3O and its molar mass is 328.24 g/mol.

What is Vigil used for?

Known uses and roles of Vigil include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Vigil hazardous?

No GHS hazard classification for Vigil is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vigil?

Vigil is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vigil?

Post a free request on CompoundList and suppliers of Vigil will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Vigil?

Suppliers quote Vigil on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Vigil

Vigil

Key facts

What is Vigil?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Vigil suppliers

Vigil price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Vigil?

What is the CAS number of Vigil?

What is the molecular formula and weight of Vigil?

What is Vigil used for?

Is Vigil hazardous?

What is the HS code of Vigil?

Where can I buy Vigil?

What is the price of Vigil?

Guides for buyers

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Key facts

What is Vigil?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Vigil suppliers

Vigil price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Vigil?

What is the CAS number of Vigil?

What is the molecular formula and weight of Vigil?

What is Vigil used for?

Is Vigil hazardous?

What is the HS code of Vigil?

Where can I buy Vigil?

What is the price of Vigil?

Guides for buyers

Get quotes for Vigil