4-Bromophenol
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
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
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
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...