Basic information
- CAS
3796-24-5- Standard SMILES
FC(F)(F)c1ccncc1- InChIKey
IIYVNMXPYWIJBL-UHFFFAOYSA-N- Molecular formula
- C6H4F3N
- Average molar mass
- 147.1 g/mol
- Monoisotopic mass
- 147.02958379
Names & identifiers
- Preferred name
- 4-(Trifluoromethyl)pyridine
- IUPAC
- 4-(trifluoromethyl)pyridine
- English name
- 4-(Trifluoromethyl)pyridine
- Molecular formula
- C6H4F3N
- Molecular weight
- 147.1
Names & synonyms
4-(Trifluoromethyl)pyridineRefChem:517181626-602-93796-24-54-trifluoromethylpyridinePyridine, 4-trifluoromethyl-MFCD00153289Pyridine, 4-(trifluoromethyl)-SCHEMBL173641SCHEMBL292437SCHEMBL319976SCHEMBL9902454
Show more names
à,à,à-trifluoro-4-picoline5-(trifluoromethyl)pyridine4-(Trifluoromethyl)pyridine97%4-(Trifluoromethyl)pyridine95%4-(Trifluoromethyl)pyridine 95%alpha,alpha,alpha-Trifluoro-4-picoline4-(TRIFLUOROMETHYL) PYRIDINE-3-CARBOXMID4-(Trifluoromethyl)pyridine ISO 9001：2015 REACH
SCHEMBL9903036DTXSID70191398KZSTZXYJQSXEBP-UHFFFAOYSA-N4-(Trifluoromethyl)pyridine, 97%FD2067SBB086525AKOS005063349CS-W018219
Database identifiers
- CAS
3796-24-5- PubChem CID
- 138055
- DTXSID
DTXSID70191398- EC Number
- 626-602-9
- Nikkaji
- J478.421I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 110 °C · 110 °C (lit.)
- Density
- 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 68 °F · 68 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.92 · 2.92±0.10(Predicted)
- form
- liquid
- color
- Clear, colourless
- BRN
- 1364589 · 1364589
- InChI
- InChI=1S/C6H4F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H
- InChIKey
- IIYVNMXPYWIJBL-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C(F)(F)F)=C1
- CAS DataBase Reference
- 3796 · 3796-24-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36-37/60
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Flammable
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29333990 · 29333990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29333990
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Irritant/Flammable
- safety_code
- 16-26-36-37/60
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-(Trifluoromethyl)pyridine may be used in the following:Preparation of (trifluoromethyl)pyridyllithiums, via metalation reaction.Synthesis of metal-organic frameworks (MOFs).Synthesis of methiodide salts.
General Description4-(Trifluoromethyl)pyridine is a pyridine derivative. It can be prepared by trifluoromethylation of 4-iodobenzene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
安徽合诺生物科技有限公司0555-2761852
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
江苏明化合晟生物科技有限公司0519-85170101 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉欣扬瑞和化学科技有限公司13720181483 13720181483 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海凯盟化学科技有限公司18916626092 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
Related reactions
9 records
Compound notes
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