4-Fluorophenol

Names

[ CAS No. ]:
371-41-5

[ Name ]:
4-Fluorophenol

[Synonym ]:
4-fluoranylphenol
p-Fluorophenol
Phenol, p-fluoro-
Phenol,p-fluoro
MFCD00002316
4-Fluorophenol
phenol,4-fluoro
PARA-FLUOROPHENOL
4-Fluoro-phenol
QR DF
4-Fluorophenyl alcohol
EINECS 206-736-0
Phenol, 4-fluoro-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
183.3±13.0 °C at 760 mmHg

[ Melting Point ]:
43-46 °C(lit.)

[ Molecular Formula ]:
C₆H₅FO

[ Molecular Weight ]:
112.102

[ Flash Point ]:
68.3±0.0 °C

[ Exact Mass ]:
112.032440

[ PSA ]:
20.23000

[ LogP ]:
1.77

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

[ Index of Refraction ]:
1.523

[ Stability ]:
Stable. Flammable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
50 g/L

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL4550000

CHEMICAL NAME :: Phenol, p-fluoro-

CAS REGISTRY NUMBER :: 371-41-5

BEILSTEIN REFERENCE NO. :: 1362752

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H5-F-O

MOLECULAR WEIGHT :: 112.11

WISWESSER LINE NOTATION :: QR DF

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 :: 312 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,868,1975 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 gm/kg/25W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 19,413,1959 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1 gm/kg

SEX/DURATION :: female 11 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

REFERENCE :: TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 41,43,1990

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38;R52/53

[ Safety Phrases ]:
S26-S37/39-S61

[ RIDADR ]:
UN 2928 6.1/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
SL4550000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29081000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

Articles

Atmospheric pressure chemical ionization of fluorinated phenols in atmospheric pressure chemical ionization mass spectrometry, tandem mass spectrometry, and ion mobility spectrometry.

J. Am. Soc. Mass Spectrom. 10(11) , 1157-65, (1999)

Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ...

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

J. Med. Chem. 48 , 7234-42, (2005)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...