4-Aminobenzotrifluoride

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Names

[ CAS No. ]:
455-14-1

[ Name ]:
4-Aminobenzotrifluoride

[Synonym ]:
4-aminotrifluorotoluene
MFCD00064396
α,α,α-Trifluoro-p-toluidine
TRIFLUOROMETHYLANILINE
4-Aminobenzotrifluororide
4-AMINOBENZOTRIFLOURIDE
p-trifluoromethylphenylamine
para-trifluoromethylaniline
4-trifluoromethylphenylamine
4-Aminobenzotrifluoride
4-(trifluoromethyl)aniline
aminobenzotrifluoride
EINECS 207-236-5
P-AMINOBENZOTRIFLUORIDE
Leflunomide Impurity 1

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
190.0±40.0 °C at 760 mmHg

[ Melting Point ]:
3-8 °C

[ Molecular Formula ]:
C₇H₆F₃N

[ Molecular Weight ]:
161.124

[ Flash Point ]:
86.7±0.0 °C

[ Exact Mass ]:
161.045227

[ PSA ]:
26.02000

[ LogP ]:
1.95

[ Vapour Pressure ]:
0.6±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.478

[ Storage condition ]:
Refrigerator, Under Inert Atmosphere

[ Water Solubility ]:
<0.1 g/100 mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XU9260000

CHEMICAL NAME :: p-Toluidine, alpha,alpha,alpha-trifluoro-

CAS REGISTRY NUMBER :: 455-14-1

BEILSTEIN REFERENCE NO. :: 1564853

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H6-F3-N

MOLECULAR WEIGHT :: 161.14

WISWESSER LINE NOTATION :: ZR CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 101 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 58 mg/kg/3D-I

TOXIC EFFECTS :: Endocrine - changes in spleen weight Blood - changes in bone marrow (not otherwise specified) Blood - changes in erythrocyte (RBC) count

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 10 mg/L

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5,803,1983

Safety Information

[ Symbol ]:

GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H319-H410

[ Precautionary Statements ]:
P273-P301 + P310-P305 + P351 + P338-P501

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R33;R36/37/38

[ Safety Phrases ]:
S26-S45-S60-S61-S36/37/39

[ RIDADR ]:
UN 2810 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
XU9260000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29214300

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

p-trifluoromethylphenylhydrazine
4-Bromobenzotrifluoride
4-Iodobenzotrifluoride
4-Chlorobenzotrifluoride
4-Nitrobenzotrifluoride
Iodotrifluoromethane
4-Trifluoromethylphenylboronic acid
4-(triethylsiloxy)-4-(trifluoromethyl)-2,5-cyclohexadien-1-one
(Trifluoromethyl)trimethylsilane

DownStream

N-[2-formyl-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
5-(Trifluoromethyl)isatin
4-(2-OXO-2-PHENYLETHYL)BENZOIC ACID
5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
3,5-Dibromo-4-hydroxybenzoic acid
4-Iodobenzotrifluoride
6-(Trifluoromethyl)quinoline
3-Oxo-N-[4-(trifluoromethyl)phenyl]butanamide
2-bromo-N-[4-(trifluoromethyl)phenyl]acetamide
6-(Trifluoromethyl)-4-quinolinol

Customs

[ HS Code ]: 2921420090

[ Summary ]:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Trifluoromethylanilines--their effect on DNA synthesis and proliferative activity in parenchymal organs of rats.

Toxicology 83(1-3) , 49-59, (1993)

Reactive isomeric 3- and 4-trifluoromethylanilines (3-,4-TFMA), and control aniline itself, induced the following effects on biosynthesis of DNA in the liver, kidney, thymus and spleen of rats: (a) Th...

Effects of trifluoromethylaniline isomers on enzyme activities in lymphatic organs and hematology of the rat.

Toxicology 92(1-3) , 27-38, (1994)

Three isomers of trifluoromethylaniline (TFMA) were investigated for their possible different toxic effects on the hematopoietic system in male Wistar rats. The effects of isomeric 2-, 3- and 4-TFMA w...