4-TRIFLUOROMETHYL-2-NITROPHENOL

Modify Date: 2025-08-25 20:17:10

4-TRIFLUOROMETHYL-2-NITROPHENOL Structure
4-TRIFLUOROMETHYL-2-NITROPHENOL structure
Common Name 4-TRIFLUOROMETHYL-2-NITROPHENOL
CAS Number 400-99-7 Molecular Weight 207.107
Density 1.6±0.1 g/cm3 Boiling Point 207.4±0.0 °C at 760 mmHg
Molecular Formula C7H4F3NO3 Melting Point N/A
MSDS Chinese USA Flash Point 95.0±0.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Hydroxy-3-nitrobenzotrifluoride
Synonym More Synonyms

 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
InChIKey XZEDEVRSUANQEM-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cc(C(F)(F)F)ccc1O

 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
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

~90%

4-TRIFLUOROMETHYL-2-NITROPHENOL Structure

4-TRIFLUOROMETH...

CAS#:400-99-7

Literature: Di, Chong-An; Li, Jing; Yu, Gui; Xiao, Yi; Guo, Yunlong; Liu, Yunqi; Qian, Xuhong; Zhu, Daoben Organic Letters, 2008 , vol. 10, # 14 p. 3025 - 3028

~92%

4-TRIFLUOROMETHYL-2-NITROPHENOL Structure

4-TRIFLUOROMETH...

CAS#:400-99-7

Literature: Bayer Aktiengesellschaft Patent: US4225731 A1, 1980 ;

~%

4-TRIFLUOROMETHYL-2-NITROPHENOL Structure

4-TRIFLUOROMETH...

CAS#:400-99-7

Literature: Kozic, Jan; Novotna, Eva; Volkova, Marie; Stolarikova, Jirina; Trejtnar, Frantisek; Wsol, Vladimir; Vinsova, Jarmila European Journal of Medicinal Chemistry, 2012 , vol. 56, p. 108 - 119

~%

4-TRIFLUOROMETHYL-2-NITROPHENOL Structure

4-TRIFLUOROMETH...

CAS#:400-99-7

Literature: Pettit; Tatlow Journal of the Chemical Society, 1954 , p. 3852 Full Text Show Details Jagupol'skii; Mospan Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1955 , vol. 21, p. 81,83 Chem.Abstr., 1955 , p. 8866

 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%

 Articles2

More 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)

 Synonyms

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
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