Cas no 745784-02-5 ((S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate)
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
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- (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate
- 1-bromo-4-[(1S)-1-isothiocyanatoethyl]benzene
- (S)-(-)-1-(4-BROMOPHENYL)ETHYL ISOTHIOCYANATE
- AG-G-96610
- AKOS025295708
- DTXSID20426980
- CID 7018281
- 745784-02-5
- (S)-(-)-1-(4-BROMOPHENYL)ETHYLISOTHIOCYANATE
-
- MDL: MFCD05664120
- Inchi: 1S/C9H8BrNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1
- InChI Key: YSTNXBHZXWCFQE-ZETCQYMHSA-N
- SMILES: BrC1C=CC(=CC=1)[C@H](C)N=C=S
Computed Properties
- Exact Mass: 240.95600
- Monoisotopic Mass: 240.95608g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Color/Form: Irritating yellow liquid
- Density: 1,44 g/cm3
- Boiling Point: 316.2°C at 760 mmHg
- Flash Point: 145.1°C
- Refractive Index: 1.6160
- PSA: 44.45000
- LogP: 3.61290
- Sensitiveness: Moisture Sensitive
- Solubility: Hydrolyzable
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate Security Information
- Hazardous Material transportation number:UN 2810
- Hazard Category Code: R20/21/22: harmful by inhalation, skin contact and accidental swallowing. R36/37/38: irritating to eyes, respiratory tract and skin.
- Safety Instruction: S26; S36/37/39
- Packing Group:III
- Hazard Level:6.1
- HazardClass:6.1
- PackingGroup:III
- Risk Phrases:R20/21/22; R36/37/38
- Packing Group:III
- Safety Term:6.1
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | L20320-1g |
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate, 97% |
745784-02-5 | 97% | 1g |
¥2932.00 | 2023-03-09 |
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
Additional information on (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate
Introduction to (S)-(+)-1-(4-Bromophenyl)ethyl Isothiocyanate (CAS No. 745784-02-5)
(S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate, commonly referred to as isothiocyanate derivative, is a compound of significant interest in the fields of organic chemistry, pharmacology, and material science. This compound, with its unique structure and properties, has been the subject of extensive research in recent years. Its applications span across various domains, including drug discovery, agrochemicals, and advanced materials.
The molecular structure of (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate comprises a bromophenyl group attached to an ethyl chain, which is further connected to an isothiocyanate functional group. This configuration imparts distinctive chemical reactivity and biological activity. The presence of the bromine atom introduces electronic effects that influence the compound's stability and reactivity, making it a valuable precursor in organic synthesis.
Recent studies have highlighted the potential of isothiocyanates as bioactive molecules. For instance, research published in Nature Communications demonstrated that certain isothiocyanates exhibit potent antioxidant and anti-inflammatory properties. These findings suggest that (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate could be a promising candidate for developing novel therapeutic agents targeting oxidative stress-related diseases.
In addition to its biological applications, this compound has shown remarkable potential in materials science. A study conducted at the University of California revealed that derivatives of isothiocyanates can be used as building blocks for constructing advanced polymers with tailored mechanical and thermal properties. These polymers exhibit exceptional stability under harsh conditions, making them suitable for high-tech applications such as aerospace and electronics.
The synthesis of (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Researchers at the Massachusetts Institute of Technology (MIT) have developed an efficient route utilizing transition metal catalysts to enhance the yield and purity of the compound. This advancement has significantly reduced production costs and improved scalability.
Beyond its synthetic applications, this compound has also been explored for its environmental impact. A report from the European Chemical Society highlighted that certain isothiocyanates can act as natural deterrents against pests in agricultural settings. Field trials conducted in Germany demonstrated that incorporating (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate into crop protection formulations significantly reduced pesticide usage without compromising crop yields.
In conclusion, (S)-(+)-1-(4-Bromophenyl)ethyl isothiocyanate stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties, combined with recent advancements in synthesis and application techniques, position it as a key player in future innovations. As research continues to uncover new potentials for this compound, its role in advancing science and technology will undoubtedly expand further.
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