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Safety Information

194395

Sigma-Aldrich

1,3-Dibromobenzene

97%

Synonym(s):

1-Bromo-3-bromobenzene, m-Dibromobenzene

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About This Item

Empirical Formula (Hill Notation):
C6H4Br2
CAS Number:
108-36-1
Molecular Weight:
235.90
Beilstein:
1904538
EC Number:
203-574-2
MDL number:
MFCD00000078
UNSPSC Code:
12352100
PubChem Substance ID:
24851649
NACRES:
NA.22

vapor density

8.16 (vs air)

Quality Level

100

vapor pressure

5 mmHg ( 66 °C)

Assay

97%

form

liquid

refractive index

n20/D 1.608 (lit.)

bp

218-219 °C (lit.)

mp

−7 °C (lit.)

density

1.952 g/mL at 25 °C (lit.)

SMILES string

Brc1cccc(Br)c1

InChI

1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H

InChI key

JSRLURSZEMLAFO-UHFFFAOYSA-N

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General description

1,3-Dibromobenzene undergoes solid-supported [KF-Al2O3] palladium-catalyzed polyarylation reaction with phenyl boronic acid under microwave irradiation to yield conjugated polyaryls.

Application

1,3-Dibromobenzene was used in the synthesis of [n]metacyclophanes via Suzuki coupling reaction.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

200.1 °F - closed cup

Flash Point(C)

93.4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

194395-BULK:
194395-5G:
194395-25G:
194395-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7494
MKCM9956
MKCM4165
MKCL4576
MKCL4577

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Beverly B Smith et al.
The Journal of organic chemistry, 67(15), 5333-5337 (2002-07-20)
Reaction of the bis-9-BBN adduct of several dienes with 1,3-dibromobenzene via Suzuki coupling leads to a series of [n]metacyclophanes ranging in size from 10 to 17 atom members. In each case, two carbon-carbon bonds are formed in one reaction vessel.
Microwave-assisted Suzuki coupling on a KF-alumina surface: synthesis of polyaryls. Microwave-assisted Suzuki coupling on a KF-alumina surface: synthesis of polyaryls.
Basu B, et al.
Tetrahedron Letters, 44(19), 3817-3820 (2003)
A Sapota et al.
Chemosphere, 39(13), 2229-2238 (1999-11-27)
The distribution, excretion and metabolism of 1,3-dibromobenzene following a single i.p. administration to rats 100 or 300 mg/kg was investigated using radiotracer [3H] and GC-MS technique. After 72 hours about 74 to 90% were excreted in urine. The highest radioactivity
J A Szymańska
Archives of toxicology, 71(1-2), 99-106 (1996-01-01)
Rats were used to study acute and subacute hepatotoxicity of 1,3-dibromobenzene (1,3-dBB). In the single-exposure experiment, maximum hepatic 1,3-dBB concentrations were found to occur 1 to 12 h after the exposure, depending on the dose. Maximum concentrations of covalently bound
J A Szymańska et al.
Journal of applied toxicology : JAT, 16(1), 35-41 (1996-01-01)
Various doses of dibromobenzene isomers (1,2-dBB, 1,3-dBB, 1,4-dBB) were administered (i.p.) to BALB mice. The levels of reduced glutathione (GSH) and malondialdehyde (MDA) in the liver, and glutamate-pyruvate transaminase (GPT) (EC.2.6.1.2) gamma-glutamyltransferase (gamma-GT) (EC.2.3.2.2) and triglycerides (TG) in the serum
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