3-(Trifluoromethyl)benzyl chloride
3-(Trifluoromethyl)benzyl chloride structure
|
Common Name | 3-(Trifluoromethyl)benzyl chloride | ||
|---|---|---|---|---|
| CAS Number | 705-29-3 | Molecular Weight | 194.581 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 179.1±35.0 °C at 760 mmHg | |
| Molecular Formula | C8H6ClF3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 48.9±0.0 °C | |
| Symbol |
GHS02, GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Chloromethyl-benzotrifluoride |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 179.1±35.0 °C at 760 mmHg |
| Molecular Formula | C8H6ClF3 |
| Molecular Weight | 194.581 |
| Flash Point | 48.9±0.0 °C |
| Exact Mass | 194.011017 |
| LogP | 3.06 |
| Vapour Pressure | 1.3±0.3 mmHg at 25°C |
| Index of Refraction | 1.457 |
| InChIKey | XGASTRVQNVVYIZ-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cccc(CCl)c1 |
| Storage condition | Flammables area |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H226-H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R10;R34 |
| Safety Phrases | S16-S26-S36/37/39-S45 |
| RIDADR | UN 2920 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 29036990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-(Trifluoromet... CAS#:705-29-3 |
| Literature: Helvetica Chimica Acta, , vol. 54, p. 868 - 897 Journal of Organic Chemistry, , vol. 42, # 5 p. 868 - 871 |
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3-(Trifluoromet... CAS#:705-29-3 |
| Literature: Journal of Medicinal Chemistry, , vol. 42, # 6 p. 1007 - 1017 |
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~%
3-(Trifluoromet... CAS#:705-29-3 |
| Literature: Helvetica Chimica Acta, , vol. 54, p. 868 - 897 Journal of Organic Chemistry, , vol. 42, # 5 p. 868 - 871 |
![[3-(Trifluoromethyl)phenyl]methanol structure](https://image.chemsrc.com/caspic/465/349-75-7.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 8 | |
![2-[3-(Trifluoromethyl)phenyl]ethanol structure](https://image.chemsrc.com/caspic/495/455-01-6.png)
CAS#:455-01-6![(3S-CIS)-(+)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO[2,1-B]OXAZOL-5(7AH)-ONE structure](https://image.chemsrc.com/caspic/456/51421-34-2.png)
CAS#:51421-34-2![1-(trifluoromethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene structure](https://image.chemsrc.com/caspic/057/72390-22-8.png)
CAS#:72390-22-8
CAS#:67646-72-4
CAS#:351-35-9![1-[3-(Trifluoromethyl)benzyl]piperazine structure](https://image.chemsrc.com/caspic/491/55513-16-1.png)
CAS#:55513-16-1This 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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Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.
J. Comb. Chem. 11(1) , 34-43, (2009) For the successful implementation of Distributed Drug Discovery (D(3)) (outlined in the accompanying Perspective), students, in the course of their educational laboratories, must be able to reproducib... |
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Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.
J. Comb. Chem. 11 , 14-33, (2009) Distributed Drug Discovery (D(3)) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computationa... |
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Synthesis and biological evaluation of a series of dithiocarbamates as new cholinesterase inhibitors.
Arch. Pharm. (Weinheim) 346(8) , 571-6, (2013) In the present paper, a novel series of dithiocarbamates was synthesized via the treatment of 4-(trifluoromethyl)benzyl chloride with appropriate sodium salts of N,N-disubstituted dithiocarbamic acids... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| m-(Trifluoromethyl)benzyl Chloride |
| EINECS 211-884-4 |
| 1-(Chloromethyl)-3-(trifluoromethyl)benzene |
| 3-(Trifluoromethyl)benzyl chloride |
| α'-Chloro-α,α,α-trifluoro-m-xylene |
| MFCD00000908 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 3-Chloromethyl-benzotrifluoride? |
| A: Related upstream materials(CAS) of 3-Chloromethyl-benzotrifluoride: 349-75-7;454-89-7;454-92-2. |
| Q: What English synonyms does 3-Chloromethyl-benzotrifluoride have? |
| A: English synonyms of 3-Chloromethyl-benzotrifluoride: m-(Trifluoromethyl)benzyl Chloride, EINECS 211-884-4, 1-(Chloromethyl)-3-(trifluoromethyl)benzene, 3-(Trifluoromethyl)benzyl chloride, α'-Chloro-α,α,α-trifluoro-m-xylene, MFCD00000908. |
| Q: What is the boiling point of 3-Chloromethyl-benzotrifluoride? |
| A: Boiling point of 3-Chloromethyl-benzotrifluoride is 179.1±35.0 °C at 760 mmHg. |
| Q: What are the downstream products of 3-Chloromethyl-benzotrifluoride? |
| A: Related downstream products(CAS) of 3-Chloromethyl-benzotrifluoride: 455-01-6;51421-34-2;454-89-7;349-75-7;72390-22-8;67646-72-4;351-35-9;55513-16-1. |
| Q: What is the SMILES notation of 3-Chloromethyl-benzotrifluoride? |
| A: SMILES notation of 3-Chloromethyl-benzotrifluoride is FC(F)(F)c1cccc(CCl)c1. |
| Q: What is the molecular weight of 3-Chloromethyl-benzotrifluoride? |
| A: Molecular weight of 3-Chloromethyl-benzotrifluoride is 194.581. |
| Q: What is the molecular formula of 3-Chloromethyl-benzotrifluoride? |
| A: Molecular formula of 3-Chloromethyl-benzotrifluoride is C8H6ClF3. |
| Q: What is the LogP of 3-Chloromethyl-benzotrifluoride? |
| A: LogP of 3-Chloromethyl-benzotrifluoride is 3.06. |
| Q: What is the InChIKey of 3-Chloromethyl-benzotrifluoride? |
| A: InChIKey of 3-Chloromethyl-benzotrifluoride is XGASTRVQNVVYIZ-UHFFFAOYSA-N. |
| Q: What is the safety information for 3-Chloromethyl-benzotrifluoride? |
| A: Safety information for 3-Chloromethyl-benzotrifluoride: S16-S26-S36/37/39-S45. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |