4-TRIFLUOROMETHYL-2-NITROPHENOL

Names

[ CAS No. ]:
400-99-7

[ Name ]:
4-TRIFLUOROMETHYL-2-NITROPHENOL

[Synonym ]:
EINECS 206-927-9
2-Nitro-4-(trifluoromethyl)-phenol
4-TRIFLUOROMETHYL-2-NITROPHENOL
Phenol, 2-nitro-4-(trifluoromethyl)-
4-Hydroxy-3-Nitrobenzotrifluoride
MFCD00009791
2-Nitro-4-(trifluoromethyl)phenol

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
207.4±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C₇H₄F₃NO₃

[ Molecular Weight ]:
207.107

[ Flash Point ]:
95.0±0.0 °C

[ Exact Mass ]:
207.014328

[ PSA ]:
66.05000

[ LogP ]:
3.15

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.507

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GP2984950

CHEMICAL NAME :: p-Cresol, 2-nitro-alpha,alpha,alpha-trifluoro-

CAS REGISTRY NUMBER :: 400-99-7

BEILSTEIN REFERENCE NO. :: 2215510

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H4-F3-N-O3

MOLECULAR WEIGHT :: 207.12

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 :: 800 mg/kg

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

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,1763,1968

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

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

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GP2984950

[ HS Code ]:
2908999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2908999090

[ Summary ]:
2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

The aqueous photolysis of TFM and related trifluoromethylphenols. An alternate source of trifluoroacetic acid in the environment. Ellis DA and Mabury SA.

Environ. Sci. Technol. 34(4) , 632-37, (2000)

Unexpected smiles rearrangement during borane reduction of 2-aryloxy-2-methylpropionamides. Buchstaller H-P and Anlauf U.

Synthesis 2005(4) , 639-43, (2005)