CAS 4274-38-8|3-Amino-4-mercaptobenzotrifluoride hydrochloride|2-amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride|2-amino-4-(trifluoromethyl)benzenethiol hydrochloride|2-氨基-4-(三氟甲基)硫代苯...

InChI=1S/C7H6F3NS.ClH/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2;1H

FIAGYDIJZOWVAB-UHFFFAOYSA-N

Sc1ccc(cc1N)C(F)(F)F.Cl

FC(F)(F)c1cc(N)c(cc1)S.Cl

Acid pKa

5.296584

H Acceptors

H Donor

LogD (pH = 5.5)

1.7850434

LogD (pH = 7.4)

0.7803271

Log P

2.0763469

Molar Refractivity

44.7419

Polarizability

15.681809

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

3-Amino-4-mercaptobenzotrifluoride hydrochloride2-氨基-4-(三氟甲基)硫代苯酚盐酸盐2-Amino-4-(trifluoromethyl)thiophenol hydrochloride2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride3-Amino-4-mercaptobenzotrifluoride hydrochloride2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride2-氨基-4-(三氟甲基)苯硫酚盐酸盐2-Thio-5-(trifluoromethyl)aniline hydrochloride2-Amino-4-(trifluoromethyl)thiophenol hydrochloride 98%

2-amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride

IUPAC Traditional name

2-amino-4-(trifluoromethyl)benzenethiol hydrochloride

Purity

98%

97%

Linear Formula

H2NC6H3(CF3)SH · HCl

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365734

Packaging
5, 25 g in glass bottle

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Names and Identifiers

Synonyms

IUPAC name

2-amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride

IUPAC Traditional name

2-amino-4-(trifluoromethyl)benzenethiol hydrochloride

Registration numbers

PubChem SID

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem CID

Molecule Details

365734

Packaging
5, 25 g in glass bottle

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

German water hazard class

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

GHS Precautionary statements

P261-P280-P305+P351+P338

P280-P273-P303+P361+P353-P305+P351+P338-P310

Safety Statements

26-37/39

26-36/37/39-45-61

Risk Statements

20/21/22-36/37/38

20/21/22-34-43-48/22-50

GHS Hazard statements

H302-H312-H315-H319-H332-H335

H314-H318-H373-H400-H302-H312-H332-H317

European Hazard Symbols

Harmful (Xn)

Harmful (X)

Nature polluting (N)

Corrosive (C)

GHS Signal Word

Warning

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

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

Serious eye damage, category 1

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Hazard Class

UN Number

UN1759

Packing Group

Molecule

ID:6945