Cas no 175205-38-6 (2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene)
2-Chloro-1-isothiocyanato-4-(trifluoromethyl)benzene is a versatile aromatic compound featuring both chloro and isothiocyanato functional groups adjacent to a trifluoromethyl substituent. Its unique structure makes it valuable in organic synthesis, particularly in the preparation of heterocyclic compounds and agrochemical intermediates. The electron-withdrawing trifluoromethyl group enhances reactivity, while the isothiocyanato moiety serves as a key building block for thiourea derivatives and other sulfur-containing compounds. This compound exhibits high stability under standard conditions, ensuring reliable handling and storage. Its applications extend to pharmaceuticals and materials science, where precise functionalization is required. The combination of chlorine and isothiocyanato groups offers selective reactivity for controlled derivatization in complex synthetic pathways.
175205-38-6 structure
Product Name:2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene
CAS No:175205-38-6
MF:C8H3ClF3NS
MW:237.629329919815
MDL:MFCD00277683
CID:111909
PubChem ID:2736688
Update Time:2025-10-19
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-chloro-1-isothiocyanato-4-(trifluoromethyl)-
- 2-chloro-1-isothiocyanato-4-(trifluoromethyl)benzene
- 2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate
- PC9055
- 3-Chloro-4-isothiocyanatobenzotrifluoride
- Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)- (9CI)
- 2-Chloro-4-(trifluoromethyl)phenylisothiocyanate97%
- 2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate 97%
- Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)-
- J-011084
- FT-0611741
- SCHEMBL7121468
- DTXSID50371530
- 175205-38-6
- A811939
- 2-Chloro-4-trifluoromethylphenyl isothiocyanate
- SY063152
- AKOS009158224
- MFCD00277683
- 2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene
-
- MDL： MFCD00277683
- Inchi： 1S/C8H3ClF3NS/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
- InChI Key： AZNMQMFLAAJBBT-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(C(F)(F)F)=C1)N=C=S
Computed Properties
- Exact Mass: 236.96300
- Monoisotopic Mass: 236.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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
- XLogP3: 4.8
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Density: 1.4
- Boiling Point: 257.1°Cat760mmHg
- Flash Point: 109.3°C
- Refractive Index: 1.524
- PSA: 44.45000
- LogP: 4.09310
- Sensitiveness: Stench
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene Security Information
- Hazard Statement： Harmful/Stench
- Hazardous Material transportation number：UN 2810
- Hazard Category Code： 23/24/25-36/37
- Safety Instruction： S26
-
Hazardous Material Identification：
- Safety Term：S26-36/37/39-45
- Risk Phrases：R23/24/25; R36/37
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene 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%
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C278935-500mg |
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene |
175205-38-6 | 500mg |
$ 205.00 | 2022-04-01 | ||
| TRC | C278935-1000mg |
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene |
175205-38-6 | 1g |
$ 335.00 | 2022-04-01 | ||
| TRC | C278935-2000mg |
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene |
175205-38-6 | 2g |
$ 540.00 | 2022-04-01 | ||
| Fluorochem | 008262-1g |
2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate |
175205-38-6 | 1g |
￡34.00 | 2022-03-01 | ||
| Fluorochem | 008262-5g |
2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate |
175205-38-6 | 5g |
￡139.00 | 2022-03-01 | ||
| Fluorochem | 008262-25g |
2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate |
175205-38-6 | 25g |
￡652.00 | 2022-03-01 | ||
| abcr | AB130048-1 g |
2-Chloro-4-(trifluoromethyl)phenyl isothiocyanate, 97%; . |
175205-38-6 | 97% | 1 g |
€110.90 | 2023-07-20 | |
| eNovation Chemicals LLC | Y1238182-1g |
Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)- |
175205-38-6 | 97% | 1g |
$270 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1238182-5g |
Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)- |
175205-38-6 | 97% | 5g |
$460 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1238182-25g |
Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)- |
175205-38-6 | 97% | 25g |
$1280 | 2024-06-07 |
2-Chloro-1-Isothiocyanato-4-(Trifluoromethyl)Benzene Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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