4-Chloro-3-(trifluoromethyl)phenol

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Names

[ CAS No. ]:
6294-93-5

[ Name ]:
4-Chloro-3-(trifluoromethyl)phenol

[Synonym ]:
4-Chloro-3-(trifluoromethyl)phenol
Phenol, 4-chloro-3-(trifluoromethyl)-
MFCD00042525
QR DG CXFFF
2-Chloro-5-hydroxybenzotrifluoride
p-Chloro-m-(trifluoromethyl)phenol

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
232.0±35.0 °C at 760 mmHg

[ Melting Point ]:
44-46°C

[ Molecular Formula ]:
C7H4ClF3O

[ Molecular Weight ]:
196.554

[ Flash Point ]:
94.1±25.9 °C

[ Exact Mass ]:
195.990280

[ PSA ]:
20.23000

[ LogP ]:
4.03

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.482

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SK6040000
CHEMICAL NAME :
Phenol, p-chloro-m-trifluoromethyl-
CAS REGISTRY NUMBER :
6294-93-5
BEILSTEIN REFERENCE NO. :
2261083
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H4-Cl-F3-O
MOLECULAR WEIGHT :
196.56
WISWESSER LINE NOTATION :
QR DG CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
630 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
11FYAN "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963 Volume(issue)/page/year: 3,84,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
64 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
11FYAN "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963 Volume(issue)/page/year: 3,84,1963

Safety Information

[ Hazard Codes ]:
Xi

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

[ Safety Phrases ]:
S26-S36/37/39

[ RTECS ]:
SK6040000

[ HS Code ]:
2908199090

Synthetic Route

Precursor & DownStream

Precursor

  • 5-Amino-2-chlorobenzotrifluoride
  • 2-Chloro-5-nitrobenzotrifluoride

DownStream

  • 4-chloro-3-(trifluoromethyl)anisole
  • 3-(Trifluoromethyl)phenol

Customs

[ HS Code ]: 2908199090

[ Summary ]:
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%


Related Compounds

  • [4-Chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
  • [4-Chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetonitrile
  • 4-Chloro-3-trifluoromethylbenzenesulfonamide
  • 4-Chloro-3-(trifluoromethyl)benzaldehyde
  • 4-chloro-3-(trifluoromethyl)benzenediazonium
  • 4-Chloro-3-(trifluoromethyl)benzenesulfonylchloride