3-Bromotoluene

Names

[ CAS No. ]:
591-17-3

[ Name ]:
3-Bromotoluene

[Synonym ]:
Benzene, 1-bromo-3-methyl-
EINECS 209-702-3
1-Bromo-3-methylbenzene
MFCD00000085
3-Bromotoluene

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
182.1±9.0 °C at 760 mmHg

[ Melting Point ]:
-40 °C

[ Molecular Formula ]:
C₇H₇Br

[ Molecular Weight ]:
171.035

[ Flash Point ]:
60.0±0.0 °C

[ Exact Mass ]:
169.973099

[ LogP ]:
3.45

[ Vapour Pressure ]:
1.1±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.549

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XS7965400

CHEMICAL NAME :: Toluene, m-bromo-

CAS REGISTRY NUMBER :: 591-17-3

BEILSTEIN REFERENCE NO. :: 1903633

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H7-Br

MOLECULAR WEIGHT :: 171.05

WISWESSER LINE NOTATION :: ER C1

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 :: 1436 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 :: 1215 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 ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H302-H315-H319-H335

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

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

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

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
UN 1993 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
XS7965400

[ Packaging Group ]:
I; II; III

[ Hazard Class ]:
3.0

[ HS Code ]:
29036990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2903999090

[ Summary ]:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Efficient cyanation of aryl bromides with K₄[Fe(CN)₆] catalyzed by a palladium-indolylphosphine complex. Yeung PY, et al.

Tetrahedron Lett. 52(52) , 7038-41, (2011)

High precision determination of bromine isotope ratio by GC-MC-ICPMS. Gelman F and Halicz L.

Int. J. Mass Spectrom. 289(2) , 167-169, (2010)

Heck reaction with an alkenylidenecyclopropane: the formation of arylallylidenecyclopropanes. Fall Y, et al.

Tetrahedron Lett. 48(20) , 3579-81, (2007)