2-Chloro-4-(trifluoromethyl)pyridin-3-amine
Basic information
- CAS
166770-70-3- Standard SMILES
Nc1c(C(F)(F)F)ccnc1Cl- InChIKey
KFMUXCNJJIWKRE-UHFFFAOYSA-N- Molecular formula
- C6H4ClF3N2
- Average molar mass
- 196.56 g/mol
- Monoisotopic mass
- 196.0015103
Names & identifiers
- Preferred name
- 2-Chloro-4-(trifluoromethyl)pyridin-3-amine
- IUPAC
- 2-chloro-4-(trifluoromethyl)pyridin-3-amine
- English name
- 2-Chloro-4-(trifluoromethyl)pyridin-3-amine
- Molecular formula
- C6H4ClF3N2
- Molecular weight
- 196.56
Names & synonyms
166770-70-32-chloro-4-(trifluoromethyl)pyridin-3-amineDTXSID70600617RefChem:258726DTXCID505513752-Chloro-3-amino-4-(trifluoromethyl)pyridineMFCD098639003-AMINO-2-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE3-Pyridinamine, 2-chloro-4-(trifluoromethyl)-SCHEMBL215434862-CHLORO-4-(TRIFLUOROMETHYL)-3-PYRIDINAMINEAB53794
Show more names
IFLAB-BB F2113-00582-Chloro-4-trifluoromethyl-pyridin-3-ylamine3-Amino-2-chloro-4-(trifluoromethyl)pyridine,97%3-AMino-2-chloro-4-(trifluoroMethyl)pyridine, 97%
MS-20679SY289839P19060AMY3145A899387SCHEMBL29460079KFMUXCNJJIWKRE-UHFFFAOYSA-NSTL557494
Database identifiers
- CAS
166770-70-3- PubChem CID
- 19851909
- DTXSID
DTXSID70600617- EC Number
- 803-105-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 53 · 53-57 °C
- Boiling point
- 255.1 · 255.1±35.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.93 · 0.93±0.10(Predicted)
- form
- solid
- Appearance
- Off-white to yellow Solid
- InChI
- 1S/C6H4ClF3N2/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H,11H2
- InChIKey
- KFMUXCNJJIWKRE-UHFFFAOYSA-N
- SMILES
- Nc1c(Cl)nccc1C(F)(F)F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H317-H319-H335
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H317-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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