CAS 69695-61-0|2-Chloro-4-(trifluoromethoxy)aniline|2-chloro-4-(trifluoromethoxy)aniline|2-chloro-4-(trifluoromethoxy)aniline|2-氯-4-(三氟甲氧基)苯胺|2-Chloro-4-(trifluoromethoxy)aniline

Molecular Formula

C₇H₅ClF₃NO

Molecular Mass

211.5689096

Exact Mass

211.00117613

InChI

InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2

InChIKey

YMLWONHDNGICOH-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1Cl)OC(F)(F)F

Isomeric Smiles

Nc1c(cc(cc1)OC(F)(F)F)Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1787338

LogD (pH = 7.4)

3.1794667

Log P

3.179476

Molar Refractivity

38.6335

Polarizability

15.470591

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2734084

IUPAC name

2-chloro-4-(trifluoromethoxy)aniline

IUPAC Traditional name

2-chloro-4-(trifluoromethoxy)aniline

Synonyms

2-Chloro-4-(trifluoromethoxy)aniline2-氯-4-(三氟甲氧基)苯胺2-Chloro-4-(trifluoromethoxy)aniline

CAS Number

69695-61-0

MDL Number

MFCD01631704

PubChem SID

24884134162059611

Product Information

Purity

97%

Linear Formula

F3COC6H3(Cl)NH2

MSDS Link

Download link

Storage Warning

IRRITANT, TOXIC

Harmful/Irritant

TSCA Listed

false

GHS Signal Word

Danger

GHS Hazard statements

H302-H319-H334

GHS Precautionary statements

P261-P305+P351+P338-P342+P311

Risk Statements

22-36-43

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

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

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Safety Statements

26-36

European Hazard Symbols

Harmful (Xn)

German water hazard class

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

655929

Packaging
1, 5 g in glass bottle

No Data Available

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Academic Data

PubChem

2734084

IUPAC name

2-chloro-4-(trifluoromethoxy)aniline

IUPAC Traditional name

2-chloro-4-(trifluoromethoxy)aniline

Synonyms

2-Chloro-4-(trifluoromethoxy)aniline2-氯-4-(三氟甲氧基)苯胺2-Chloro-4-(trifluoromethoxy)aniline

CAS Number

MDL Number

PubChem SID

655929

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Product Information

Purity

97%

Linear Formula

F3COC6H3(Cl)NH2

Safety Information

Physical Property

Molecule

ID:54848