Basic information
- Standard SMILES
Clc1ccc(Cl)c(Cl)c1- InChIKey
PBKONEOXTCPAFI-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3
- Average molar mass
- 181.4 g/mol
- Monoisotopic mass
- 179.930033
Names & identifiers
- Preferred name
- 1,2,4-Trichlorobenzene
- IUPAC
- 1,2,4-trichlorobenzene
- English name
- 1,2,4-Trichlorobenzene
- Molecular formula
- C6H3Cl3
- Molecular weight
- 181.45
Names & synonyms
1,2,4-trichlorobenzene120-82-1Benzene, 1,2,4-trichloro-unsym-TrichlorobenzeneHostetex L-pecTrojchlorobenzen1,2,4-Trichlorbenzol1,2,4-Trichlorobenzol1,2,5-Trichlorobenzene1,3,4-Trichlorobenzeneas-trichlorobenzeneTrichlorobenzene A
Show more names
TRICHLOROBENZENE124-,,1,2,4-TRICHLOROBENZENE SINGLE COMPONENT STANDARD FOR EPA124TCB1.2.4-Tric1,2,4TrichLHipochem GMhostetexl-pec
DTXSID0021965AI3-0777505IQ959M1NNSC-406697DTXCID701965CHEBI:28222RefChem:411007204-428-0
Database identifiers
- CAS
120-82-1、63697-18-7- PubChem CID
- 13
- DTXSID
DTXSID0021965- ChEMBL
CHEMBL296348- ChEBI
CHEBI:28222- UNII
- 05IQ959M1N
- EC Number
- 204-428-0
- Nikkaji
- J2.482A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94
Physicochemical properties
- Melting point
- 16 °C · 16 °C(lit.)
- Boiling point
- 214 °C · 214 °C(lit.)
- Density
- 1.454 g/mL · 1.454 g/mL at 25 °C(lit.)
- vapor density
- 6 · >6 (vs air)
- vapor pressure
- 1 mm · 1 mm Hg ( 40 °C)
- refractive index
- 20 · n20/D 1.571(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- water: insoluble
- form
- Liquid
- color
- Clear
- Odor
- Characteristic aromatic odor
- explosive limit
- 6.6 %, · 6.6%, 150°F
- Water Solubility
- INSOLUBLE
- Thermal Conductivity
- 0.109 W/ · 0.109 W/(m·K) at 25 ℃
- λmax
- 308 nm · λ: 308 nm Amax: 1.00λ: 310 nm Amax: 0.50λ: 350 nm Amax: 0.05λ: 375-400 nm Amax: 0.01
- Merck
- 14 · 14,9631
- BRN
- 956819 · 956819
- Henry's Law Constant
- 0.997 at · 0.997 at 20.0 °C (wetted-wall column, ten Hulscher et al., 1992) 1.24, 2.27, 2.58, 3.06, and 3.90 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME, Dewulf et al., 1999)
- Exposure limits
- 2 ppm · EU LTEL:2 ppm(15.1 mg/m3); EU STEL:5 ppm(37.8 mg/m3)
- Dielectric constant
- 2.24 · 2.2400000000000002
- Stability
- Stable. Incompatible with strong oxidizing agents. Combustible.
- InChI
- 1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
- InChIKey
- PBKONEOXTCPAFI-UHFFFAOYSA-N
- SMILES
- Clc1ccc(Cl)c(Cl)c1
- EPA Primary Drinking Water Standard
- 0.07 · MCL:0.07,MCLG:0.07
- LogP
- 4.28 · 4.28
- REACH Annex XVII Substances List
- Trichlorobenzene (120-82-1)
- CAS DataBase Reference
- 120 · 120-82-1(CAS DataBase Reference)
- EWG's Food Scores
- 5 · 5
- FDA UNII
- 5 IQ959M1N · 05IQ959M1N
- NIST Chemistry Reference
- 1 · Benzene, 1,2,4-trichloro-(120-82-1)
- EPA Substance Registry System
- 1 · 1,2,4-Trichlorobenzene (120-82-1)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H373-H335-H336-H410
- Precautionary statements
- 501 · P501-P273-P260-P270-P271-P264-P280-P302+P352-P391-P314-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
- Hazard Codes
- Xn,N,Xi,T,F
- Risk Statements
- 22 · 22-38-50/53-52/53-39/23/24/25-23/24/25-11-51/53
- Safety Statements
- 23 · 23-37/39-60-61-45-36/37-16-7
- OEL
- 5 ppm · Ceiling: 5 ppm (40 mg/m3)
- RIDADR
- 2321 · UN 2321 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 2100000 · DC2100000
- Autoignition Temperature
- 571 °C · 571 °C
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- Hazardous Substances Data
- 120 · 120-82-1(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: 550 mg/kg LD50 dermal Rat 6139 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- OEL
- Ceiling: 5 ppm (40 mg/m3)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DC2100000
- ridadr
- UN 2321 6.1/PG 3
- hs_code
- 29036990
- Toxicity
- LD50 orally in Rabbit: 550 mg/kg LD50 dermal Rat 6139 mg/kg
- risk_code
- 22-38-50/53-52/53-39/23/24/25-23/24/25-11-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xn,N,Xi,T,F
- hazard_note
- Irritant
- safety_code
- 23-37/39-60-61-45-36/37-16-7
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H302-H315-H373-H335-H336-H410
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- Autoignition Temperature
- 571 °C
- Precautionary statements
- P501-P273-P260-P270-P271-P264-P280-P302+P352-P391-P314-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
- Hazardous Substances Data
- 120-82-1(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionTrichlorobenzenes (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.
Uses1,2,4-Trichlorobenzene is used as a dielectric and heat transfer fluid in transformers. It acts as an intermediate, degreaser, wood preservative and solvent for dye. It is a high-temperature solvent used in gel permeation chromatography, especially for polyethylene and polypropylene. Further, it is used as a lubricant and as a synthetic transformer oil.
General DescriptionColorless liquid or white solid with a sharp chlorobenzene odor. Melting point 16.95°C (62.5°F) .
Upstream & downstream products
Upstream raw materials
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Additional notes
DefinitionChEBI: 1,2,4-trichlorobenzene is a trichlorobenzene with chloro substituents at positions 1, 2 and 4. It is a solvent in various organic chemical reactions.
Related reactions
121 records
Linked notes
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