Basic information
- CAS
64415-07-2- Standard SMILES
FC(F)(F)c1ccc2c(=S)cc[nH]c2c1- InChIKey
DBWDEWRMEKXOFI-UHFFFAOYSA-N- Molecular formula
- C10H6F3NS
- Average molar mass
- 229.22 g/mol
- Monoisotopic mass
- 229.01730485
Names & identifiers
- Preferred name
- 7-(Trifluoromethyl)quinoline-4-thiol
- IUPAC
- 7-(trifluoromethyl)-1H-quinoline-4-thione
- English name
- 7-Trifluoromethyl-4-quinolinethiol
- Molecular formula
- C10H6F3NS
- Molecular weight
- 229.22
Names & synonyms
7-(Trifluoromethyl)quinoline-4-thiolEINECS 264-875-27-(trifluoromethyl)-4-quinolinethiolRefChem:545304264-875-264415-07-27-Trifluoromethyl-4-quinolinethiol7-(trifluoromethyl)-1H-quinoline-4-thione181950-70-9MFCD000067804-Quinolinethiol, 7-(trifluoromethyl)-7-(Trifluoromethyl)quinoline-4(1H)-thione
Show more names
7-(Trifluoromethyl)quinoline-4-thiol 95%7-Trifluoromethyl-4-quinolinethiol,tech.7-(Trifluoromethyl)quinoline-4-thiol, tech.7-TRIFLUOROMETHYL-4-QUINOLINETHIOL ISO 9001：2015 REACH
DTXSID909829877-Trifluoromethyl-4quinoline-thiol7-Trifluoromethyl-4-quinoline-thiol7-(Trifluoromethyl)quinoline-4-thiol, 95%AI-204/31700009SCHEMBL2201230SCHEMBL6834693SCHEMBL10750364
Database identifiers
- CAS
64415-07-2- PubChem CID
- 688041
- DTXSID
DTXSID90982987- EC Number
- 264-875-2
- Nikkaji
- J236.385B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 222 · 222-225 °C (lit.)
- Boiling point
- 307.8 · 307.8±37.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 0.39 · 0.39±0.30(Predicted)
- form
- chunks
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
- InChIKey
- DBWDEWRMEKXOFI-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(C(F)(F)F)C=2)C(S)=CC=1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses7-(Trifluoromethyl)quinoline-4-thiol was used to investigate the mechanism of generation of lipid-poor particles from high-density lipoprotein induced by cholesteryl ester transfer protein.
Upstream & downstream products
Upstream raw materials
Suppliers25 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
苏州斯凯诺森生物科技有限公司19951323309 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
南京英士奇生物科技有限公司18727012071 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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