Cas no 13911-02-9 (Benzene,1,2,3-trichloro-4-(chloromethyl)-)
Benzene,1,2,3-trichloro-4-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,3-trichloro-4-(chloromethyl)-
- 1,2,3-trichloro-4-(chloromethyl)benzene
- alpha,2,3,4-tetrachlorotoluene
- 2,3,4-trichlorobenzyl chloride
- 2.3.4-Trichlor-benzylchlorid
- AC1L3689
- AR-1L7160
- CTK4B9171
- EINECS 237-681-0
- NSC155927
- SureCN3727971
- TRICHLOROBENZYLCHLORIDE
- 2,3,4-Trichloro-1-(chloromethyl)benzene
- SCHEMBL3727971
- 13911-02-9
- NSC 155927
- NS00024500
- NSC-155927
- DTXSID40160915
-
- Inchi: 1S/C7H4Cl4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2
- InChI Key: ZZGCZMFHUSKZIE-UHFFFAOYSA-N
- SMILES: ClC1C(=C(C=CC=1CCl)Cl)Cl
Computed Properties
- Exact Mass: 227.90692
- Monoisotopic Mass: 227.907
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 4.2
Experimental Properties
- Density: 1.502
- Boiling Point: 284.6°C at 760 mmHg
- Flash Point: 131.3°C
- Refractive Index: 1.577
- PSA: 0
- LogP: 4.38560
Benzene,1,2,3-trichloro-4-(chloromethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013010505-250mg |
2,3,4-Trichlorobenzyl chloride |
13911-02-9 | 97% | 250mg |
489.60 USD | 2021-06-25 | |
| Alichem | A013010505-500mg |
2,3,4-Trichlorobenzyl chloride |
13911-02-9 | 97% | 500mg |
798.70 USD | 2021-06-25 | |
| Alichem | A013010505-1g |
2,3,4-Trichlorobenzyl chloride |
13911-02-9 | 97% | 1g |
1,475.10 USD | 2021-06-25 |
Benzene,1,2,3-trichloro-4-(chloromethyl)- Related Literature
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Satish Chandra Philkhana,Suneet Mehrotra,Thomas F. Murray,D. Srinivasa Reddy Org. Biomol. Chem. 2016 14 8457
Additional information on Benzene,1,2,3-trichloro-4-(chloromethyl)-
Chemical Compound CAS No. 13911-02-9: Benzene, 1,2,3-Trichloro-4-(Chloromethyl)-
Benzene, 1,2,3-trichloro-4-(chloromethyl)- (CAS No. 13911-02-9) is a highly specialized organic compound with a complex structure and unique properties. This compound belongs to the class of chlorinated aromatic compounds, which have been extensively studied due to their applications in various industrial and chemical processes. The molecule consists of a benzene ring substituted with three chlorine atoms at positions 1, 2, and 3, and a chloromethyl group (-CH?Cl) at position 4. This substitution pattern imparts distinct chemical reactivity and physical properties to the compound.
The synthesis of Benzene, 1,2,3-trichloro-4-(chloromethyl)- involves multi-step reactions typically starting from benzene derivatives. Recent advancements in synthetic methodologies have focused on optimizing reaction conditions to enhance yield and purity. For instance, researchers have explored the use of transition metal catalysts to facilitate electrophilic substitution reactions, which are critical in constructing the trichloro-substituted benzene ring. These studies highlight the importance of precise control over reaction parameters such as temperature, pressure, and catalyst loading to achieve the desired product.
One of the most notable applications of Benzene, 1,2,3-trichloro-4-(chloromethyl)- is in the production of specialty chemicals and intermediates for pharmaceuticals. The compound serves as a key precursor in the synthesis of bioactive molecules due to its ability to undergo various nucleophilic substitutions and coupling reactions. Recent research has demonstrated its utility in generating novel heterocyclic compounds with potential pharmacological activities. For example, studies published in leading chemistry journals have shown that derivatives of this compound exhibit promising anti-inflammatory and anticancer properties.
The physical properties of Benzene, 1,2,3-trichloro-4-(chloromethyl)- are influenced by its molecular structure. The presence of multiple chlorine atoms increases the molecular weight and contributes to its high boiling point (approximately 200°C). Additionally, the chloromethyl group enhances the compound's reactivity towards nucleophiles due to the electron-withdrawing effect of chlorine atoms. This makes it an ideal substrate for various organic transformations.
From an environmental perspective, understanding the fate and transport of Benzene, 1,2,3-trichloro-4-(chloromethyl)- in natural systems is crucial for assessing its potential impact on ecosystems. Recent studies have investigated its biodegradation pathways under aerobic and anaerobic conditions. Findings suggest that certain microbial communities can metabolize this compound through oxidative mechanisms or reductive dehalogenation processes. These insights are valuable for developing strategies to mitigate environmental contamination associated with its use.
In terms of safety considerations, handling Benzene, 1,2,3-trichloro-4-(chloromethyl)- requires adherence to standard laboratory protocols due to its potential toxicity. Exposure studies indicate that prolonged contact with this compound may cause skin irritation or respiratory issues in humans. Therefore, proper personal protective equipment (PPE) should be used during synthesis or handling procedures.
Looking ahead, ongoing research continues to explore new avenues for leveraging Benzene, 1
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