HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,2,4-Trichlorobenzene
1,2,4-Trichlorbenzol · TRICHLOROBENZENE124-,, · 1,2,4-TRICHLOROBENZENE SINGLE COMPONENT STANDARD FOR EPA · 124TCB · ai3-07775 · 1.2.4-Tric · 1,2,4TrichL · Hipochem GM
Identifiers & Physical Properties
| CAS No. | 120-82-1 |
|---|---|
| Molecular formula | C6H3Cl3 |
| Average molar mass | 181.4 g/mol |
| Monoisotopic mass | 179.930033 g/mol |
| SMILES | Clc1ccc(Cl)c(Cl)c1 |
| InChIKey | PBKONEOXTCPAFI-UHFFFAOYSA-N |
| PubChem CID | 13 |
| ChEMBL | CHEMBL296348 |
| ChEBI | CHEBI:28222 |
| EC No. | 204-428-0 |
| DTXSID | DTXSID0021965 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 94 |
| Melting point | 16 °C(lit.) |
| Boiling point | 214 °C(lit.) |
| Density | 1.454 g/mL at 25 °C(lit.) |
| Vapor density | >6 (vs air) |
| Vapor pressure | 1 mm Hg ( 40 °C) |
| Refractive index | n20/D 1.571(lit.) |
| Flash point | >230 °F |
| Storage conditions | 2-8°C |
| Solubility | water: insoluble |
| Physical state | Liquid |
| Color | Clear |
| Odor | Characteristic aromatic odor |
| Explosive limits | 6.6%, 150°F |
| Thermal conductivity | 0.109 W/(m·K) at 25 ℃ |
| λmax | λ: 308 nm Amax: 1.00λ: 310 nm Amax: 0.50λ: 350 nm Amax: 0.05λ: 375-400 nm Amax: 0.01 |
| Merck | 14,9631 |
| BRN | 956819 |
| Henry's law constant | 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 | EU LTEL:2 ppm(15.1 mg/m3)EU STEL:5 ppm(37.8 mg/m3) |
| Dielectric constant | 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 | MCL:0.07,MCLG:0.07 |
| LogP (partition coefficient) | 4.28 |
| REACH Annex XVII Substances List | Trichlorobenzene (120-82-1) |
| CAS DataBase Reference | 120-82-1(CAS DataBase Reference) |
| EWG's Food Scores | 5 |
| FDA UNII | 05IQ959M1N |
| NIST Chemistry Reference | Benzene, 1,2,4-trichloro-(120-82-1) |
| EPA Substance Registry System | 1,2,4-Trichlorobenzene (120-82-1) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS07,GHS08,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H373-H335-H336-H410 |
| GHS 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 |
| Hazard symbols | Xn,N,Xi,T,F |
| Risk statements (R) | 22-38-50/53-52/53-39/23/24/25-23/24/25-11-51/53 |
| Safety statements (S) | 23-37/39-60-61-45-36/37-16-7 |
| Occupational exposure limit (OEL) | Ceiling: 5 ppm (40 mg/m3) |
| UN transport number | UN 2321 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | DC2100000 |
| Autoignition temperature | 571 °C |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2 |
| Packing group | III |
| Customs code | 29036990 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazardous substances data | 120-82-1(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 550 mg/kg LD50 dermal Rat 6139 mg/kg |
| REACH registrations | Active |
| 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) |
Safety & Regulations
| Occupational exposure limit (OEL) | Ceiling: 5 ppm (40 mg/m3) |
|---|---|
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | DC2100000 |
| UN transport number | UN 2321 6.1/PG 3 |
| Customs code | 29036990 |
| Toxicity | LD50 orally in Rabbit: 550 mg/kg LD50 dermal Rat 6139 mg/kg |
| Risk statements (R) | 22-38-50/53-52/53-39/23/24/25-23/24/25-11-51/53 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS08,GHS09 |
| Hazard symbols | Xn,N,Xi,T,F |
| hazard_note | Irritant |
| Safety statements (S) | 23-37/39-60-61-45-36/37-16-7 |
| Hazard class | 6.1Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| GHS 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 |
| Autoignition temperature | 571 °C |
| GHS 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) |
Applications & Uses
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.
Uses
1,2,4-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 Description
Colorless liquid or white solid with a sharp chlorobenzene odor. Melting point 16.95°C (62.5°F) .