4-Bromobenzoic acid

Names

[ CAS No. ]:
586-76-5

[ Name ]:
4-Bromobenzoic acid

[Synonym ]:
EINECS 209-581-7
4-Bromobenzoic acid
MFCD00002529
p-Bromobenzenecarboxylic acid
Benzoic acid, p-bromo-
Benzoic acid, 4-bromo-
p-Bromobenzoic acid
QVR DE

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
299.8±23.0 °C at 760 mmHg

[ Melting Point ]:
252-254 °C(lit.)

[ Molecular Formula ]:
C₇H₅BrO₂

[ Molecular Weight ]:
201.017

[ Flash Point ]:
135.1±22.6 °C

[ Exact Mass ]:
199.947281

[ PSA ]:
37.30000

[ LogP ]:
2.86

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.608

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

[ Water Solubility ]:
SOLUBLE IN HOT WATER

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4448050

CHEMICAL NAME :: Benzoic acid, p-bromo-

CAS REGISTRY NUMBER :: 586-76-5

BEILSTEIN REFERENCE NO. :: 1906923

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H5-Br-O2

MOLECULAR WEIGHT :: 201.03

WISWESSER LINE NOTATION :: QVR 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 :: 1059 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 :: 536 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

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

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

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

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36

[ Safety Phrases ]:
S26-S36-S24/25-S22-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DG4448050

[ HS Code ]:
29163900

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 29163900

Articles

Tetragonal Cu2Se nanoflakes: synthesis using selenated propylamine as Se source and activation of Suzuki and Sonogashira cross coupling reactions.

Dalton Trans. 44(2) , 725-32, (2014)

The metastable tetragonal Cu2Se phase as nanoflakes has been synthesized for the first time by treating CuCl2 taken in a mixture (1:1) of 1-octadecene and oleylamine with H2N-(CH2)3-SePh dissolved in ...

Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry.

Rapid Commun. Mass Spectrom. 19(4) , 519-24, (2005)

Inductively coupled plasma mass spectrometry (ICPMS) has been used to determine the rate and routes of excretion of bromine following the intraperitoneal administration (50 mg kg(-1)) of 2-, 3- and 4-...

Quantification of the in vitro and in vivo metabolic fates of 2-, 3-and 4-bromobenzoic acids using high temperature LC coupled to ICP-MS and linear ion trap MS. Smith CJ, et al.

Chromatographia 67(9-10) , 673-678, (2008)