| Identification | More | [Name]
1,3,5-Trichlorobenzene | [CAS]
108-70-3 | [Synonyms]
1,3,5-TCB
2,2',5,5'-Tetrachloro-[1,1'-Biphenyl]-4,4'-diamine
SYM-TRICHLOROBENZENE
TCB
1,3,5-trichloro-benzen
ai3-22031
Benzene,1,3,5-trichloro-
I,3,5-TrichlorbenzolVW,16
s-Trichlorobenzene
trichloro-1,3,5benzene
1,3,5-TRICHLOROBENZENE PESTANAL, 250 MG
1 3 5-TRICHLOROBENZENE TECH. 90%
1,3,5-TRICHLOROBENZENE, 1000MG, NEAT
1,3,5-Trichlorbenzol
TCB
Trichlorobenzene
1,3,5-TRICHLOROBENZENE pure | [EINECS(EC#)]
203-608-6 | [Molecular Formula]
C6H3Cl3 | [MDL Number]
MFCD00000585 | [Molecular Weight]
181.45 | [MOL File]
108-70-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to beige crystalline powder | [Melting point ]
63 °C | [Boiling point ]
208 °C(lit.)
| [density ]
1.4528 (estimate) | [vapor pressure ]
0.58 at 25 °C (quoted, Mackay et al., 1982) | [refractive index ]
1.5693 (estimate) | [Fp ]
260 °F
| [storage temp. ]
0-6°C | [solubility ]
Soluble in benzene, ether, ligroin (Weast, 1986), glacial acetic acid, carbon disulfide, and
petroleum ether (Windholz et al., 1983) | [form ]
powder or crystals | [color ]
Off-White | [Stability:]
Stable. Incompatible with acids, strong oxidizing agents. | [Water Solubility ]
Insoluble in water. | [Merck ]
14,9632 | [BRN ]
1635233 | [Henry's Law Constant]
1.83, 2.04, 2.64, 4.49, and 5.24 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME,
Dewulf et al., 1999) | [InChI]
1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H | [InChIKey]
XKEFYDZQGKAQCN-UHFFFAOYSA-N | [SMILES]
Clc1cc(Cl)cc(Cl)c1 | [LogP]
4.190 | [CAS DataBase Reference]
108-70-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,3,5-trichloro-(108-70-3) | [EPA Substance Registry System]
108-70-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332-H315-H319-H335-H412 | [Precautionary statements ]
P261-P273-P280-P305+P351+P338 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R38:Irritating to the skin.
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
3077 | [WGK Germany ]
3
| [RTECS ]
DC2100100
| [Hazard Note ]
Harmful/Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29039990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 2 | [Safety Profile]
Moderately toxic by
ingestion and intraperitoneal routes.
Mutation data reported. When heated to
decomposition it emits toxic vapors of Cl-. | [Hazardous Substances Data]
108-70-3(Hazardous Substances Data) | [Toxicity]
Drinking water standard: No MCLGs or MCLs have been proposed, however, a DWEL of 200
μg/L was recommended (U.S. EPA, 2000). |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,2,4-Trichlorobenzene-->1,2,3-Trichlorobenzene-->2,4,6-Trichloroaniline-->ethyl 2-methoxyacrylate-->1,3-Dibromo-5-chlorobenzene-->2,2',4,4',6,6'-Hexachlorobiphenyl-->2,4,6-Trichloroiodobenzene-->Pentachlorobenzene-->1,2,3,5-Tetrachlorobenzene-->Lindane-->1-Bromo-3,5-dichlorobenzene | [Preparation Products]
3,5-Dichloroaniline-->1,2,4-Trichlorobenzene-->1,2,3-Trichlorobenzene-->2,4,6-Trichlorobenzoic acid-->3',5'-Dichloro-2,2,2-trifluoroacetophenone-->3,5-Dichlorophenol |
| Hazard Information | Back Directory | [General Description]
White to off-white crystals. | [Reactivity Profile]
Can react vigorously with oxidizing materials. . | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Description]
Trichlorobenzenes (TCBs) are synthetic chemicals that
occur in three different isomeric forms. The three chlorinated
cyclic aromatic isomers are 1,2,3-trichlorobenzene (1,2,3-TCB),
1,2,4-trichlorobenzene (1,2,4-TCB), and 1,3,5-trichlorobenzene
(1,3,5-TCB). 1,2,4-TCB is one of the 188 chemicals designated
as a hazardous air pollutant under the Clean Air Act. | [Chemical Properties]
white to beige crystalline powder | [Uses]
1,3,5-Trichlorobenzene is used for someof these
applications plus as a termite preparation and insecticide.
These compounds are found as unintended by-products of
the manufacture of the mono- and dichlorobenzenes. | [Uses]
Trichlorobenzenes are primarily used as solvents in chemical
manufacturing industries. 1,2,4-Trichlorobenzene is economically
the most important isomer. 1,2,4-Trichlorobenzene is
used as a solvent in chemical reactions to dissolve oils, waxes,
and resins. Furthermore, it is also used as a dye carrier. 1,2,3-
Trichlorobenzene is used as an intermediate for pesticides
production, pigments, and dyes. 1,3,5-Trichlorobenzene is not
marketed commercially and has very limited use as a chemical
intermediate. Besides, trichlorobenzenes can also be used as
degreasing agents, as septic tanks and drain cleaners, and as an
ingredient in wood preservatives and abrasive formulations.
Other minor uses include metal work, anticorrosive paint, and
corrosion inhibitor in sprays. In the past, mixed isomers of
trichlorobenzenes were used to control termites; however, their
use has been discontinued. | [Definition]
ChEBI: 1,3,5-trichlorobenzene is a trichlorobenzene carrying chloro substituents at positions 1, 3 and 5. | [Environmental Fate]
Biological. Under aerobic conditions, soil microbes degraded 1,3,5-trichlorobenzene to 1,3- and
1,4-dichlorobenzene and carbon dioxide (Kobayashi and Rittman, 1982). A mixed culture of soil
bacteria or a Pseudomonas sp. transformed 1,3,5-trichlorobenzene to 2,4,6-trichlorophenol
(Ballschiter and Scholz, 1980).
In an enrichment culture derived from a contaminated site in Bayou d’Inde, LA, 1,3,5-
trichlorobenzene underwent reductive dechlorination yielding 1,3-dichlorobenzene. The maximum
dechlorination rate, based on the recommended Michaelis-Menten model, was 9.5 nM/d
(Pavlostathis and Prytula, 2000).
Photolytic. The sunlight irradiation of 1,3,5-trichlorobenzene (20 g) in a 100-mL borosilicate
glass-stoppered Erlenmeyer flask for 56 d yielded 160 ppm pentachlorobiphenyl (Uyeta et al.,
1976). A photooxidation half-life of 6.17 months was reported for the vapor-phase reaction of
1,3,5-trichlorobenzene with OH radicals (Atkinson, 1985). | [Purification Methods]
Recrystallise it from dry *benzene or toluene. [Beilstein 5 IV 666.] | [Toxicity evaluation]
The liver is themain target of trichlorobenzenes irrespective of
the route of exposure. The mechanisms of liver toxicity
induced by these chemicals have not been illustrated. It might
involve intermediate arene oxides formed during initial
transformation to trichlorophenols. In addition, exposure
to 1,2,4-TCB induced porphyria in rats by inducing daminolevulinic
acid (ALA) synthetase, a rate-limiting enzyme
in the biosynthesis of heme, and also heme oxygenase, a ratelimiting
enzyme in the degradation of heme synthetase, and
therefore increasing heme production. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,3,5-Trichlorobenzene(108-70-3)MS
1,3,5-Trichlorobenzene(108-70-3)1HNMR
1,3,5-Trichlorobenzene(108-70-3)13CNMR
1,3,5-Trichlorobenzene(108-70-3)IR1
1,3,5-Trichlorobenzene(108-70-3)IR2
1,3,5-Trichlorobenzene(108-70-3)IR3
1,3,5-Trichlorobenzene(108-70-3)Raman
|
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Alfa Aesar
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Energy Chemical
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Maya High Purity Chemicals
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Spectrum Chemical Manufacturing Corp.
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