Basic information
- CAS
69045-84-7- Standard SMILES
FC(F)(F)c1cnc(Cl)c(Cl)c1- InChIKey
ABNQGNFVSFKJGI-UHFFFAOYSA-N- Molecular formula
- C6H2Cl2F3N
- Average molar mass
- 215.98 g/mol
- Monoisotopic mass
- 214.95163908
Names & identifiers
- Preferred name
- 2,3-Dichloro-5-(trifluoromethyl)pyridine
- IUPAC
- 2,3-dichloro-5-(trifluoromethyl)pyridine
- English name
- 2,3-Dichloro-5-(trifluoromethyl)pyridine
- Molecular formula
- C6H2Cl2F3N
- Molecular weight
- 215.99
Names & synonyms
2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-72,3-Dichloro-5-trifluoromethylpyridineUNII-5F2C8LX8IE5F2C8LX8IEPyridine, 2,3-dichloro-5-(trifluoromethyl)-DTXSID7074080ABNQGNFVSFKJGI-UHFFFAOYSA-EC 410-340-5RefChem:81595DTXCID9046447410-340-5
Show more names
DCTF5-DCTFAKOS BBS-00006992BUTTPARK 45\10-37TIMTEC-BB SBB0067292,3-Dichloro-5-(trif2,3-Dichloro-5-(TrifluoromethyGingerol Impurity 3 (8-Gingerol)3-Dichloro-5-trifluoroMethylpyridine
614-913-2ABNQGNFVSFKJGI-UHFFFAOYSA-NInChI=1/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H2,3-dichloro-5-trifluoromethyl pyridine2,3,5-dctf69645-84-7MFCD000422432,3-dichloro-5-trifluoromethyl-pyridine
Database identifiers
- CAS
69045-84-7- PubChem CID
- 112234
- DTXSID
DTXSID7074080
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 8 · 8-9 °C
- Boiling point
- 80 °C20 · 80 °C20 mm Hg(lit.)
- Density
- 1.549 g/mL · 1.549 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.475(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Chloroform, Methanol
- pka
- -3.34 · -3.34±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.549 · 1.549
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Danger
H302+H332 (31.9%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Pyridine, 2,3-dichloro-5-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,3-dichloro-5-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11164
Hazard Classes and Categories
Acute Tox. 4 (98.7%)
Acute Tox. 4 (100%)
Eye damage - category 1
Acute Tox. 4 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29333990
- risk_code
- 20/22-41-43-51/53-36/37/38
- Signal word
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Pyridine, 2,3-dichloro-5-(trifluoromethyl)-: ACTIVE
Applications
Uses2,3-Dichloro-5-(trifluoromethyl)pyridine is a reactant that has been used in the synthesis of a 17b-HSD1 inhibitor.
General Description2,3-Dichloro-5-(trifluoromethyl)pyridine is reported as an intermediate of herbicide. Synthesis of 2,3-dichloro-5-(trifluoromethyl)pyridine has been reported. Palladium-catalyzed monoalkoxycarbonylation of 2,3-dichloro-5-(trifluoromethyl)pyridine has been reported.
Upstream & downstream products
Upstream raw materials
Related reactions
189 records
Compound notes
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