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Merck

35350

1,3-Dichlorobenzene

puriss., ≥99.0% (GC)

Synonym(s):

m-Dichlorobenzene

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About This Item

Empirical Formula (Hill Notation):
C6H4Cl2
CAS Number:
541-73-1
Molecular Weight:
147.00
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57649296
EC Number:
208-792-1
Beilstein/REAXYS Number:
956618
MDL number:
MFCD00000573
Assay:
≥99.0% (GC)
Form:
liquid

Key Documents

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InChI key

ZPQOPVIELGIULI-UHFFFAOYSA-N

InChI

1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

SMILES string

Clc1cccc(Cl)c1

vapor pressure

5 mmHg ( 38.8 °C)

grade

puriss.

assay

≥99.0% (GC)

form

liquid

Quality Level

100

bp

172-173 °C (lit.)

mp

−25-−22 °C (lit.)

density

1.288 g/mL at 25 °C (lit.)

functional group

chloro

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General description

1,3-Dichlorobenzene is a thermodynamically favoured isomer of 1,4-dichlorobenzene. The heat capacity at constant pressure and density of 1,3-dichlorobenzene was measured in the temperature range from (283.15 to 353.15)K.

Application

1,3-Dichlorobenzene is suitable as carbon and energy supplement for the growth of gram-negative, peritrichously flagellated rod, tentatively identified as an Alcaligenes sp.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

152.6 °F - closed cup

flash_point_c

67.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB7036
SDBB3538
STBL1702
BCCD5315
BCCB9667

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Heat capacities and densities of some liquid chloro-, bromo-, and bromochloro-substituted benzenes.
Goralski P and Piekarski H.
Journal of Chemical and Engineering Data, 52(2), 655-659 (2007)
J A de Bont et al.
Applied and environmental microbiology, 52(4), 677-680 (1986-10-01)
A gram-negative, peritrichously flagellated rod, tentatively identified as an Alcaligenes sp., was isolated from a mixture of soil and water samples by using 1,3-dichlorobenzene as the sole carbon and energy source. During growth on 1,3-dichlorobenzene, almost stoichiometric amounts of chloride
J Messner et al.
Chemical communications (Cambridge, England), 50(79), 11705-11708 (2014-08-22)
The isomerisation reaction of 1,4-dichlorobenzene leading to the thermodynamically favoured and technically desired 1,3-dichlorobenzene has been studied comparing highly acidic chloroaluminate melts with organic imidazolium and alkali metal ions. Interestingly, the inorganic melts show much higher reactivity and full recyclability
Angela Gaber et al.
The journal of physical chemistry. A, 112(3), 425-434 (2008-01-01)
For the first time, vibrational spectra of the 35Cl2 and 35Cl37Cl isotopomers of o-, m-, and p-dichlorobenzene cations in the electronic ground state have been measured via S1 intermediate states by mass analyzed threshold ionization (MATI) spectroscopy. Additionally, ab initio
Bram J Versonnen et al.
Environmental toxicology and chemistry, 22(2), 329-335 (2003-02-01)
The estrogenicity of o-, m-, and p-dichlorobenzene (DCB) was evaluated with a yeast estrogen screen (YES) and zebrafish (Danio rerio) vitellogenin (VTG) assays. With the YES, p-DCB and m-DCB were found to be estrogenic in a concentration-responsive manner. The relative
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