CAS No.591-17-3,3-Bromotoluene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	591-17-3
Name:	3-Bromotoluene
Article Data:	53

Formula:	C₇H₇Br
Molecular Weight:	171.037
Synonyms:	3-Bromo-1-methylbenzene;3-Methyl-1-bromobenzene;m-Bromotoluene;Benzene, 1-bromo-3-methyl-;5-Bromotoluene;4-05-00-00827 (Beilstein Handbook Reference);Toluene, 3-bromo-;Toluene, m-bromo-;m-Methylbromobenzene;m-Tolyl bromide;3-Methylbromobenzene;1-Bromo-3-methylbenzene;1-bromo-3-methyl-benzene;
EINECS:	209-702-3
Density:	1.403 g/cm³
Melting Point:	-40 °C
Boiling Point:	182.1 °C at 760 mmHg
Flash Point:	60 °C
Solubility:	insoluble in water
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xn, Xi
Risk Codes:	22-36/37/38
Safety:	26-36-37/39
Transport Information:	UN 1993 3/PG 3
PSA:	0.00000
LogP:	2.75750

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Chemistry

IUPAC Name: 1-Bromo-3-methylbenzene
Following is the structure of 3-Bromotoluene (CAS NO.591-17-3):

Empirical Formula: C₇H₇Br
Molecular Weight: 171.0345
EINECS: 209-702-3
Index of Refraction: 1.548
Molar Refractivity: 38.76 cm³
Molar Volume: 121.8 cm³
Polarizability: 15.36 10^-24cm³
Density: 1.403 g/cm³
Flash Point: 60 °C
Melting point: -40 °C
Water Solubility: insoluble
Surface Tension: 34.4 dyne/cm
Enthalpy of Vaporization: 40.12 kJ/mol
Boiling Point: 182.1 °C at 760 mmHg
Vapour Pressure: 1.12 mmHg at 25 °C
Appearance of 3-Bromotoluene (CAS NO.591-17-3): colorless to light yellow liqui
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; Miscellaneous; Bromine Compounds; Aryl; C7; Halogenated Hydrocarbons
Canonical SMILES: CC1=CC(=CC=C1)Br
InChI: InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: WJIFKOVZNJTSGO-UHFFFAOYSA-N

Uses

3-Bromotoluene (CAS NO.591-17-3) can be used in organic synthesis, also used for raw materials and intermediate in pharmaceutical industry.

Toxicity Data With Reference

1.		orl-mus LD50:1436 mg/kg		GISAAA Gigiena i Sanitariya. 44 (12)(1979),19.
2.		ipr-mus LD50:1215 mg/kg		GISAAA Gigiena i Sanitariya. 44 (12)(1979),19.

3-Bromotoluene (CAS NO.591-17-3) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of Br⁻.

Other safty informations about 3-Bromotoluene (CAS NO.591-17-3):
Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: XS7965400
F: 8
Hazard Note: Harmful/Irritant
HS Code: 29036990

Specification

3-Bromotoluene , its cas register number 591-17-3. It also can be called 1-Bromo-3-methylbenzene ; 3-Bromo-1-methylbenzene ; 3-Methyl-1-bromobenzene ; 3-Methylbromobenzene ; 5-Bromotoluene ; Benzene, 1-bromo-3-methyl- ; Toluene, 3-bromo- ; Toluene, m-bromo- ; m-Bromotoluene ; m-Methylbromobenzene ; and m-Tolyl bromide .
3-Bromotoluene (CAS NO.591-17-3) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials, ignition sources. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization has not been reported.