2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol

Basic Information

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CAS Number

79983-71-4

Molecular Formula

C14H17Cl2N3O

Molecular Weight

314.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

111 ºC

Boiling Point

490.3±55.0 °C at 760 mmHg

Density

d25 1.29

Flash Point

250.3±31.5 °C

Refractive Index

1.5490 (estimate)

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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OC(C1=CC=C(Cl)C=C1Cl)(CCCC)CN2N=CN=C2

InChI

InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3

InChIKey

STMIIPIFODONDC-UHFFFAOYSA-N

LogP

3.6629000000000023

Topological Polar Surface Area

50.94 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

308

Safety Information

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GHS Hazard Pictograms

H302

H317

H411

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 orally in mallard ducks, male rats, female rats: >4000, 2189, 6071 mg/kg; dermally in rats: >2000 mg/kg; LC50 (96 hour) in rainbow trout: >6.7 mg/l (Shephard)

Synonyms & References

English

hexaconazole
(+/-)-alpha-Butyl-alpha-(2,4-dichlorophenyl)-1,2,4-Triazole-1-ethanol
(RS)-2-(2,4-Dichlorophenyl)-1-(4H-1,2,4-triazole-4-yl)hexan-2-ol
Anvil
PP 523
R154523
Anril Planete Asten
Consult
Hexaconazole suspension
(RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazole-1-yl)hexan-2-ol
(-)-Hexaconazol
(±)-Hexaconazole
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
Hexaconazol
Hexaconazole Solution
(RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Anvil L
Anvil Liquid
Chlortriafol
Contaf
Contaf 5EC
rac-(2R)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Sitara
α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
Anvil (fungicide)
Hexaconazole [BSI:ISO]
FD 4053
2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
R 154523
STMIIPIFODONDC-UHFFFAOYSA-N
alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-

MDL Number

MFCD00144441

Customs Code

2933990014

FAQ

What is 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4)?

2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol is a chemical compound with the CAS number 79983-71-4. It is characterized by its molecular structure, which includes a 2,4-dichlorophenyl group, a 1H-1,2,4-triazol-1-yl ring, and a hexanol chain. This compound is known for its potential applications in pharmaceutical and chemical research due to its complex functional groups and reactivity.

What are the main uses of 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4)?

2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4) is primarily used in pharmaceutical research as a potential intermediate or active ingredient. It may also find applications in the development of agrochemicals and other specialty chemicals. Its unique structure makes it a valuable compound for studying molecular interactions and biological activity in research settings.

Is 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4) safe?

The safety of 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4) depends on its specific application and exposure conditions. As a chemical compound, it should be handled with care, following standard laboratory safety protocols. Protective measures such as gloves, goggles, and a fume hood are recommended. Safety data sheets (SDS) should be consulted for detailed information on toxicity and handling.

How should 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4) be stored?

2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-hexanol (CAS: 79983-71-4) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is important to keep the compound away from moisture and direct light to maintain its stability. Storage in a tightly sealed container is recommended, and it should be kept out of reach of children and not exposed to incompatible substances.