4-Bromophenol

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Names

[ CAS No. ]:
106-41-2

[ Name ]:
4-Bromophenol

[Synonym ]:
EINECS 203-394-4
p-Bromohydroxybenzene
P-BROMOPHENOL
Bromophenol
Phenol,4-bromo
p-Bromophenic acid
4-hydroxy bromo-benzene
para-bromophenol
4-Bromo-phenol
4-Bromophbenol
Phenol, 4-bromo-
4-bromohydroxybenzene
MFCD00002313
Phenol,p-bromo
Phenol, p-bromo-

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
238.0±0.0 °C at 760 mmHg

[ Melting Point ]:
61-64 °C(lit.)

[ Molecular Formula ]:
C₆H₅BrO

[ Molecular Weight ]:
173.007

[ Flash Point ]:
90.8±19.8 °C

[ Exact Mass ]:
171.952377

[ PSA ]:
20.23000

[ LogP ]:
2.49

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

[ Index of Refraction ]:
1.605

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SJ7960000

CHEMICAL NAME :: Phenol, p-bromo-

CAS REGISTRY NUMBER :: 106-41-2

LAST UPDATED :: 199709

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C6-H5-Br-O

MOLECULAR WEIGHT :: 173.02

WISWESSER LINE NOTATION :: QR DE

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 :: 523 mg/kg

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(12),19,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 411 mg/kg

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(12),19,1979 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7200 mg/kg/18W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent 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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.3 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4360 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 35 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315

[ Precautionary Statements ]:
P301 + P312 + P330

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

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
2811

[ WGK Germany ]:
2

[ RTECS ]:
SJ7960000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2908199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Bromo-4-iodobenzene
4-Bromophenylboronic Acid
Phenol
4-Bromophenoxy t-Butyl-Dimethylsilane
Bromobenzene
4-Bromoanisole
2-(4-Bromophenoxy)tetrahydro-2H-pyran
Benzene,1-bromo-4-(2-propen-1-yloxy)-
Diethyl sulfide

DownStream

1-bromo-4-(2,2,2-trifluoroethoxy)benzene
4-(2,4-dimethoxyphenyl)phenol
2-Acetamido-4-bromophenol
1-(4-Bromophenoxy)-3-(trifluoromethyl)benzene
rac 5-Carboxy Tolterodine
1-bromo-4-undecoxybenzene
1,3-BENZENEDICARBOXALDEHYDE, 5-BROMO-2-HYDROXY-
4-bromo-2-(1-methylcyclohexyl)phenol
4-bromo-2-(1-methylcyclohexyl)-anisole
4-trimethylgermylphenol

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

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...

Liver protein targets of hepatotoxic 4-bromophenol metabolites.

Chem. Res. Toxicol. 25(8) , 1777-86, (2012)

The hepatotoxicity of bromobenzene (BB) is directly related to the covalent binding of both initially formed epoxide and secondary quinone metabolites to at least 45 different liver proteins. 4-Bromop...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...