Basic information
- CAS
39890-95-4- Standard SMILES
FC(F)(F)c1cccc(Cl)n1- InChIKey
ADVQMCQMDHBTHJ-UHFFFAOYSA-N- Molecular formula
- C6H3ClF3N
- Average molar mass
- 181.54 g/mol
- Monoisotopic mass
- 180.99061144
Names & identifiers
- Preferred name
- 2-Chloro-6-(trifluoromethyl)pyridine
- IUPAC
- 2-chloro-6-(trifluoromethyl)pyridine
- English name
- 2-Chloro-6-(trifluoromethyl)pyridine
- Molecular formula
- C6H3ClF3N
- Molecular weight
- 181.54
Names & synonyms
2-Chloro-6-(trifluoromethyl)pyridine39890-95-4DTXSID40345169ADVQMCQMDHBTHJ-UHFFFAOYSA-RefChem:469592DTXCID40296243624-440-3InChI=1/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H2-Chloro-6-trifluoromethylpyridineMFCD000422262-Chloro-6-trifluoromethyl-pyridine2-chloro-6-(trifluoromethyl)-pyridine
Show more names
FINE ORGANIC COMPOUNDoro-6-(trifLPYRIDINE DERIVATBUTTPARK 27\08-82Chloro-6-(trifluoroMethyl)pyr2-Chloro-5-trifluoromethylpyri2-CHLORO-6-TRIFLUOROMETHYLPRIDINE
AB01904AC-9466C1986EN300-501482-chloro-6-trifluoromethyl pyridinepyridine, 2-chloro-6-(trifluoromethyl)-6-Chloro-2-(trifluoromethyl)pyridineA6657
Database identifiers
- CAS
39890-95-4- PubChem CID
- 602334
- DTXSID
DTXSID40345169- EC Number
- 624-440-3
- Nikkaji
- J1.309.346F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 33 °C · 33 °C
- Boiling point
- 60 · 60-62°C 8mm
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- Flash point
- 78 °C · 78°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- powder to lump
- pka
- -4.3 · -4.30±0.10(Predicted)
- color
- White to Almost white
- FreezingPoint
- 32 to · 32.0 to 34.0 ℃
- BRN
- 4308910 · 4308910
- InChI
- InChI=1S/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
- InChIKey
- ADVQMCQMDHBTHJ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C(F)(F)F)=CC=C1
- CAS DataBase Reference
- 39890 · 39890-95-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (83.3%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (83.3%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 25-20/21/22-36/37/38-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T;Xn,Xi,Xn,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36/37-9-36
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- Hazard statements
- H300-H319
- Hazard Classifications
- Acute Tox. 2 OralEye Irrit. 2
- Precautionary statements
Chemistry & industry
Applications
Uses2-Chloro-6-(trifluoromethyl)pyridine can be used in the synthesis of medicine, pesticide or biocidal product.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
65 records
Compound notes
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