Cas no 82174-09-2 (3-(trifluoromethylthio)phenylacetonitrile)
82174-09-2 structure
Product Name:3-(trifluoromethylthio)phenylacetonitrile
CAS No:82174-09-2
MF:C9H6F3NS
MW:217.210851192474
MDL:MFCD00236353
CID:987502
PubChem ID:2777904
Update Time:2025-04-20
3-(trifluoromethylthio)phenylacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(trifluoromethylthio)phenylacetonitrile
- 2-[3-(trifluoromethylsulfanyl)phenyl]acetonitrile
- PC0045
- 2-(3-(trifluoromethylthio)phenyl)acetonitrile
- 2-{3-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile
- AKOS015853048
- KAWIEADJQRWSEU-UHFFFAOYSA-N
- 82174-09-2
- FT-0641849
- MFCD00236353
- EN300-1928379
- A840264
- 2-[3-(trifluoromethylthio)phenyl]acetonitrile
- 2-(3-((Trifluoromethyl)thio)phenyl)acetonitrile
- DTXSID70380705
- CS-0269255
- SCHEMBL11154063
- DB-008256
-
- MDL： MFCD00236353
- Inchi： 1S/C9H6F3NS/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
- InChI Key： KAWIEADJQRWSEU-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1=CC=CC(CC#N)=C1
Computed Properties
- Exact Mass: 217.01700
- Monoisotopic Mass: 217.01730486g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 3.3
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 49.09000
- LogP: 3.36458
3-(trifluoromethylthio)phenylacetonitrile Security Information
- Hazard Statement： Toxic
- Hazardous Material transportation number：UN 3276
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22; R36/37/38
- HazardClass：TOXIC
3-(trifluoromethylthio)phenylacetonitrile 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%
3-(trifluoromethylthio)phenylacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 005537-1g |
3-(Trifluoromethylthio)phenylacetonitrile |
82174-09-2 | 1g |
649CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 005537-1g |
3-(Trifluoromethylthio)phenylacetonitrile |
82174-09-2 | 1g |
649.0CNY | 2021-07-13 | ||
| TRC | T900190-10mg |
3-(Trifluoromethylthio)phenylacetonitrile |
82174-09-2 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T900190-50mg |
3-(Trifluoromethylthio)phenylacetonitrile |
82174-09-2 | 50mg |
$ 70.00 | 2022-06-02 | ||
| TRC | T900190-100mg |
3-(Trifluoromethylthio)phenylacetonitrile |
82174-09-2 | 100mg |
$ 115.00 | 2022-06-02 | ||
| abcr | AB128243-1 g |
3-(Trifluoromethylthio)phenylacetonitrile, 98%; . |
82174-09-2 | 98% | 1g |
€59.80 | 2022-06-12 | |
| abcr | AB128243-5 g |
3-(Trifluoromethylthio)phenylacetonitrile, 98%; . |
82174-09-2 | 98% | 5g |
€162.50 | 2022-06-12 | |
| abcr | AB128243-1g |
3-(Trifluoromethylthio)phenylacetonitrile, 98%; . |
82174-09-2 | 98% | 1g |
€59.80 | 2025-04-16 | |
| abcr | AB128243-5g |
3-(Trifluoromethylthio)phenylacetonitrile, 98%; . |
82174-09-2 | 98% | 5g |
€162.50 | 2025-04-16 | |
| Enamine | EN300-1928379-1g |
2-{3-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile |
82174-09-2 | 1g |
$728.0 | 2023-09-17 |
3-(trifluoromethylthio)phenylacetonitrile Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
82174-09-2 (3-(trifluoromethylthio)phenylacetonitrile) Related Products
- 1806451-64-8(3-(2-Methyl-4-(trifluoromethylthio)phenyl)propanenitrile)
- 2229594-12-9(2-methyl-2-{3-(trifluoromethyl)sulfanylphenyl}propan-1-amine)
- 237424-20-3(2-(Trifluoromethylthio)phenylacetonitrile)
- 1806381-20-3(3-(4-Methyl-3-(trifluoromethylthio)phenyl)propanenitrile)
- 1805879-09-7(3-(4-Methyl-2-(trifluoromethylthio)phenyl)propanenitrile)
- 1806465-46-2(3-(2-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile)
- 1806658-48-9(3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile)
- 1226208-09-8(Benzene, 1-[(difluoromethyl)thio]-4-(1,1-dimethylethyl)-)
- 1891398-70-1(2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile)
- 70124-90-2(2-{4-(trifluoromethyl)sulfanylphenyl}acetonitrile)
Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent