CAS 90238-10-1|N,N-dimethyl-3-(trifluoromethyl)benzamide|N,N-Dimethyl-3-(trifluoromethyl)benzamide 99%|N,N-dimethyl-3-(trifluoromethyl)benzamide|N,N-二甲基-3-(三氟甲基)苯酰胺|N,N-Dimethyl-3-(trifluo...

Molecular Formula

C₁₀H₁₀F₃NO

Molecular Mass

217.1877096

Exact Mass

217.07144861

InChI

InChI=1S/C10H10F3NO/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3

InChIKey

AVCRBLADHKZIJP-UHFFFAOYSA-N

Canonic Smiles

CN(C(=O)c1cccc(c1)C(F)(F)F)C

Isomeric Smiles

N(C(=O)c1cc(ccc1)C(F)(F)F)(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1490862

LogD (pH = 7.4)

2.1490867

Log P

2.1490867

Molar Refractivity

50.9035

Polarizability

18.039183

Polar Surface Area

20.31

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

688295

IUPAC name

N,N-dimethyl-3-(trifluoromethyl)benzamide

Synonyms

N,N-Dimethyl-3-(trifluoromethyl)benzamide 99%N,N-二甲基-3-(三氟甲基)苯酰胺N,N-Dimethyl-3-(trifluoromethyl)benzamide

IUPAC Traditional name

N,N-dimethyl-3-(trifluoromethyl)benzamide

MDL Number

MFCD00274320

CAS Number

90238-10-1

PubChem SID

24869302162079806

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

GHS Precautionary statements

P261-P305+P351+P338-P342+P311

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

Harmful (Xn)

Danger

22-36/37/38-43-52/53

26-36/37-61

H302-H315-H319-H334-H335

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

Physical Property

Product Information

CF3C6H4CON(CH3)2

99%

No Data Available

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No Data Available

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Sigma Aldrich

457329

Packaging
1, 5 g in glass bottle
Application
Reaction of N,N-dialkylbenzamides with sulfur tetrafluoride yields dialkyl-α,α-difluorobenzylamines.1

No Data Available

Click here to submit data

Academic Data

PubChem

688295

IUPAC name

N,N-dimethyl-3-(trifluoromethyl)benzamide

Synonyms

N,N-Dimethyl-3-(trifluoromethyl)benzamide 99%N,N-二甲基-3-(三氟甲基)苯酰胺N,N-Dimethyl-3-(trifluoromethyl)benzamide

IUPAC Traditional name

N,N-dimethyl-3-(trifluoromethyl)benzamide

MDL Number

CAS Number

PubChem SID

457329

Packaging
1, 5 g in glass bottle
Application
Reaction of N,N-dialkylbenzamides with sulfur tetrafluoride yields dialkyl-α,α-difluorobenzylamines.1

No Data Available

Click here to submit data

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

GHS Precautionary statements

P261-P305+P351+P338-P342+P311

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

Harmful (Xn)

Danger

22-36/37/38-43-52/53

26-36/37-61

H302-H315-H319-H334-H335

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

Physical Property

Product Information

CF3C6H4CON(CH3)2

99%

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

Molecule

ID:93121