Benzotrichloride
Benzotrichloride structure
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Common Name | Benzotrichloride | ||
|---|---|---|---|---|
| CAS Number | 98-07-7 | Molecular Weight | 195.47400 | |
| Density | 1.38 g/mL at 25 °C(lit.) | Boiling Point | 219-223 °C760 mm Hg(lit.) | |
| Molecular Formula | C7H5Cl3 | Melting Point | −7.5-−7 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 207 °F | |
| Symbol |
GHS05, GHS06, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | α,α,α-Trichlorotoluene |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.38 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 219-223 °C760 mm Hg(lit.) |
| Melting Point | −7.5-−7 °C(lit.) |
| Molecular Formula | C7H5Cl3 |
| Molecular Weight | 195.47400 |
| Flash Point | 207 °F |
| Exact Mass | 193.94600 |
| LogP | 3.51330 |
| Vapour density | 6.77 (vs air) |
| Vapour Pressure | 0.2 mm Hg ( 20 °C) |
| Index of Refraction | n20/D 1.557(lit.) |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
| SMILES | ClC(Cl)(Cl)c1ccccc1 |
| Stability | Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture. |
| Water Solubility | HYDROLYSIS |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H331-H335-H350 |
| Precautionary Statements | P201-P261-P280-P305 + P351 + P338-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R22;R23;R37/38;R41;R45 |
| Safety Phrases | S53-S45 |
| RIDADR | UN 2226 8/PG 2 |
| WGK Germany | 3 |
| RTECS | XT9275000 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:98-08-8
CAS#:75-36-5
CAS#:98-87-3
CAS#:108-88-3
CAS#:56-23-5
CAS#:587-85-9
CAS#:28867-76-7
CAS#:103-79-7
CAS#:98-88-4
CAS#:100-44-7
CAS#:10537-12-9
CAS#:5216-25-1
CAS#:2136-81-4
CAS#:2136-89-2
CAS#:20020-72-8
CAS#:55082-33-2
CAS#:89899-44-5
CAS#:1137-42-4
CAS#:1523-17-7
CAS#:111277-24-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2903999090 |
|---|---|
| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Solid-phase microextraction fiber development for sampling and analysis of volatile organohalogen compounds in air.
J. Environ. Health. Sci. Eng. 12(1) , 123, (2014) A green, environmental friendly and sensitive method for determination of volatile organohalogen compounds was described in this paper. The method is based on a homemade sol-gel single-walled carbon n... |
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Determination of trace level genotoxic impurities in small molecule drug substances using conventional headspace gas chromatography with contemporary ionic liquid diluents and electron capture detection.
J. Chromatogr. A. 1361 , 217-28, (2014) Ionic liquids (ILs) were used as a new class of diluents for the analysis of two classes of genotoxic impurities (GTIs), namely, alkyl/aryl halides and nitro-aromatics, in small molecule drug substanc... |
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Toxicity of trichlorotoluene isomers: a 28-day feeding study in the rat.
J. Environ. Sci. Health B 19(2) , 183-91, (1984) Groups of 10 male and 10 female rats were fed alpha,alpha,alpha-, alpha,2,6- or 2,3,6- trichlorotoluene (TCT) in their diet at 0, 0.5, 5.0, 50 or 500 ppm for 28 days. Growth rate and food consumption ... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 202-634-5 |
| Benzotrichloride |
| MFCD00000786 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of α,α,α-Trichlorotoluene? |
| A: CAS number of α,α,α-Trichlorotoluene is 98-07-7. |
| Q: What English synonyms does α,α,α-Trichlorotoluene have? |
| A: English synonyms of α,α,α-Trichlorotoluene: EINECS 202-634-5, Benzotrichloride, MFCD00000786. |
| Q: How is the water solubility of α,α,α-Trichlorotoluene? |
| A: Water solubility of α,α,α-Trichlorotoluene: HYDROLYSIS. |
| Q: What is the SMILES notation of α,α,α-Trichlorotoluene? |
| A: SMILES notation of α,α,α-Trichlorotoluene is ClC(Cl)(Cl)c1ccccc1. |
| Q: What is the molecular formula of α,α,α-Trichlorotoluene? |
| A: Molecular formula of α,α,α-Trichlorotoluene is C7H5Cl3. |
| Q: What are the upstream materials of α,α,α-Trichlorotoluene? |
| A: Related upstream materials(CAS) of α,α,α-Trichlorotoluene: 98-08-8;75-36-5;98-87-3;108-88-3;56-23-5;587-85-9;28867-76-7;103-79-7;98-88-4;100-44-7. |
| Q: What is the LogP of α,α,α-Trichlorotoluene? |
| A: LogP of α,α,α-Trichlorotoluene is 3.51330. |
| Q: What is the InChIKey of α,α,α-Trichlorotoluene? |
| A: InChIKey of α,α,α-Trichlorotoluene is XEMRAKSQROQPBR-UHFFFAOYSA-N. |
| Q: What is the melting point of α,α,α-Trichlorotoluene? |
| A: Melting point of α,α,α-Trichlorotoluene is −7.5-−7 °C(lit.). |
| Q: What is the English name of α,α,α-Trichlorotoluene? |
| A: The English name of α,α,α-Trichlorotoluene is α,α,α-Trichlorotoluene. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |