4-Aminobenzotrifluoride

Modify Date: 2025-08-22 07:44:40

4-Aminobenzotrifluoride Structure
4-Aminobenzotrifluoride structure
 Common Name 4-Aminobenzotrifluoride
CAS Number 455-14-1 Molecular Weight 161.124
Density 1.3±0.1 g/cm3 Boiling Point 190.0±40.0 °C at 760 mmHg
Molecular Formula C7H6F3N Melting Point 3-8 °C
MSDS Chinese USA Flash Point 86.7±0.0 °C
Symbol GHS06 GHS09
GHS06, GHS09		 Signal Word Danger

 Names

Name 4-trifluoromethylaniline
Synonym More Synonyms

 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
InChIKey ODGIMMLDVSWADK-UHFFFAOYSA-N
SMILES Nc1ccc(C(F)(F)F)cc1
Storage condition Refrigerator, Under Inert Atmosphere
Water Solubility <0.1 g/100 mL

 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
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

 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%

 Articles29

More Articles
The many roles for fluorine in medicinal chemistry.

J. Med. Chem. 51 , 4359-69, (2008)

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...

 Synonyms

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
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