2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Basic Information

View in Editor

CAS Number

94361-06-5

Molecular Formula

C15H18ClN3O

Molecular Weight

291.78 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

105-108°C

Boiling Point

479.1°C at 760 mmHg

Density

1.32

Solubility

Soluble in acetone, ethanol, xylene, and dimethyl sulfoxide.

Refractive Index

1.6330 (estimate)

SMILES

View in Editor

CC(C1CC1)C(O)(C2=CC=C(Cl)C=C2)CN3N=CN=C3

InChI

InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3

InChIKey

UFNOUKDBUJZYDE-UHFFFAOYSA-N

LogP

2.865400000000001

Topological Polar Surface Area

50.94 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

331

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 in male and female rats (mg/kg): 1020, 1330 orally; in rats: 2000 dermally; LD50 in carp: 18.9 mg/l; in trout 7.2 mg/l; in bluegill sunfish 6.0 mg/l in water; LD50 in bobwhite quail (mg/kg): 150 orally; LD50 (8 day dietary) in bobwhite quail, mallard duck: 816, 1197 mg/kg (Gisi, 1986)

Synonyms & References

English

2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
2rs,3sr)-2-(4-chloro-phenyl)-3-cyclopropyl-1-(1h-1,2,4-triazol-1-yl
4-triazole-1-ethanol,alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-1h-2
alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-1h-1,2,4-triazole-1-ethano
SHANDON
ALTO
2RS,3RS)-2-(4-chlorophenyl)-3-cycloproyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Cyproconazole
2-(4-Chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Cyproconazol
Cyproconazole Solution
1H-1,2,4-Triazole-1-ethanol,a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-
2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
rac-(2R,3RS)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazo
α-(4-chlorophenyl)-α-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol
α-(4-Chlorophenyl)-α-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol (ACI)
Alto
Alto 100
Alto 100SL
Alto 240EC
Atemi
Atemi 10 Pepite
Atemi C
Caddy
SAN 619F
SN 108266

MDL Number

MFCD01678672

Customs Code

2933990015

FAQ

What is 2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 94361-06-5)?

2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol is a chemical compound with the CAS number 94361-06-5. It is a substituted butanol containing a 4-chlorophenyl group, a cyclopropyl ring, and a 1H-1,2,4-triazol-1-yl moiety. This compound is known for its complex structure and potential applications in various scientific fields.

What are the main uses of 2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 94361-06-5)?

This compound is primarily used in pharmaceutical research for its potential as a drug candidate, particularly in the development of antiviral and anti-inflammatory agents. It also finds application in organic synthesis and chemical research due to its versatile functional groups and structural features.

Is 2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 94361-06-5) safe?

Safety of 2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol depends on its handling and exposure conditions. It is generally considered safe when used in controlled laboratory settings, but proper protective measures, such as gloves and ventilation, should be followed. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 94361-06-5) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from direct light. It is recommended to keep it in a sealed container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and avoid exposure to air or humidity to ensure stability and prolong shelf life.