CAS 402-45-9|Alpha,Alpha,Alpha-Trifluoro-P-Cresol|α,α,α-trifluoro-P-cresol|4-(trifluoromethyl)phenol|α,α,α-三氟对甲酚|4-(三氟甲基)苯酚|α,α,α-Trifluoro-p-cresol|4-Hydroxybenzotrifluoride|4-(...

InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

BAYGVMXZJBFEMB-UHFFFAOYSA-N

Acid pKa

9.387031

H Acceptors

H Donor

LogD (pH = 5.5)

2.547473

LogD (pH = 7.4)

2.5431037

Log P

2.547529

Molar Refractivity

34.0126

Polarizability

12.200335

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Log P

2.65

LOG S

-1.51

Solubility (Water)

5.06e+00 g/l

Alpha,Alpha,Alpha-Trifluoro-P-Cresolα,α,α-三氟对甲酚4-(Trifluoromethyl)phenol对三氟甲基苯酚α,α,α-Trifluoro-p-cresol4-(三氟甲基)苯酚4-Hydroxybenzotrifluoride4-(trifluoromethyl)phenolalpha,alpha,alpha-Trifluoro-p-cresol

IUPAC Traditional name

α,α,α-trifluoro-P-cresol

4-(trifluoromethyl)phenol

Download link

P210-P261-P280-P301+P310-P305+P351+P338

CF3C6H4OH

97%

95%

95+%

Click here to submit data

DB03610

Drug information: experimental

178470

Packaging
1, 5, 25 g in glass bottle

Click here to submit data

Names and Identifiers

Synonyms

IUPAC Traditional name

α,α,α-trifluoro-P-cresol

IUPAC name

4-(trifluoromethyl)phenol

Registration numbers

MDL Number

MFCD00002363

CAS Number

402-45-9

Beilstein Number

1637019

PubChem SID

1609667114650730124850747

PubChem CID

67874

EC Number

206-945-7

Molecule Details

DrugBank

DB03610

Drug information: experimental

Sigma Aldrich

178470

Packaging
1, 5, 25 g in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Risk Statements

22-37/38-41

20/21/22-34

Storage Temperature

2-8°C

German water hazard class

GHS Hazard statements

H228-H301-H315-H318-H335

H301-H311-H332-H314-H318

RID/ADR

UN 2926 4.1/PG 2

GHS Signal Word

Danger

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Packing Group

III

Hazard Class

4.1

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

European Hazard Symbols

Harmful (Xn)

Corrosive (C)

Harmful (X)

Safety Statements

26-39

9-20-26-36/37/39-45-60

UN Number

2926

UN3261

TSCA Listed

否

GHS Precautionary statements

Molecule

ID:3269