4-(Trifluoromethyl)phenylhydrazine
Basic information
- CAS
368-90-1- Standard SMILES
NNc1ccc(C(F)(F)F)cc1- InChIKey
DBNLGTYGKCMLLR-UHFFFAOYSA-N- Molecular formula
- C7H7F3N2
- Average molar mass
- 176.14 g/mol
- Monoisotopic mass
- 176.05613288
Names & identifiers
- Preferred name
- 4-(Trifluoromethyl)phenylhydrazine
- IUPAC
- [4-(trifluoromethyl)phenyl]hydrazine
- English name
- 4-(Trifluoromethyl)phenylhydrazine
- Molecular formula
- C7H7F3N2
- Molecular weight
- 176.14
Names & synonyms
4-(Trifluoromethyl)phenylhydrazine368-90-14-trifluoromethylphenylhydrazineDTXSID40190277RefChem:517171DTXCID50112768609-305-9(4-(Trifluoromethyl)phenyl)hydrazine[4-(trifluoromethyl)phenyl]hydrazine4-(trifluoromethyl)phenyl hydrazineMFCD00042508p-Trifluoromethylphenylhydrazine
Show more names
BUTTPARK 44\57-164-(Trifluromethyl)phenylhydrà,à,à-trifluoro-p-tolylhydrazineP-(TRIFLUOROMETHYL)PHENYLHYDRAZINE4-(Trifluoromethyl)phenylhydrazine97%4-(Trifluoromethyl)phenylhydrazine,96%1-[4-(trifluoromethyl)phenyl]hydrazine4-(Trifluoromethyl)phenylhydrazine,95%4-(Trifluoromethyl)phenylhydrazine 97%
Hydrazine, [4-(trifluoromethyl)phenyl]-4-trifluoromethyl-phenylhydrazine(4-trifluoromethyl-phenyl)-hydrazineSTK500360GS-3179AC-149144-Hydrazinobenzotrifluoride4-(Trifluoromethyl)-phenylhydrazine
Database identifiers
- CAS
368-90-1- PubChem CID
- 136200
- DTXSID
DTXSID40190277- EC Number
- 609-305-9
- Nikkaji
- J308.981I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 63 · 63-65 °C (lit.)
- Boiling point
- 118 · 118-122 °C/17 mmHg (lit.)
- Density
- 1.2773 · 1.2773 (estimate)
- Flash point
- 119 · 119-121°C/17mm
- storage temp.
- 2 · 2-8°C
- pka
- 4.49 · 4.49±0.20(Predicted)
- form
- Powder
- color
- Yellow to brown
- Water Solubility
- Insoluble in water.
- BRN
- 743759 · 743759
- InChI
- 1S/C7H7F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1-4,12H,11H2
- InChIKey
- DBNLGTYGKCMLLR-UHFFFAOYSA-N
- SMILES
- NNc1ccc(cc1)C(F)(F)F
- CAS DataBase Reference
- 368 · 368-90-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
Warning
H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, 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 47 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. 4 (14.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29280000
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT, TOXIC
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
Uses4-(Trifluoromethyl)phenylhydrazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
General Description4-(Trifluoromethyl)phenylhydrazine participates as phenylhydrazine-based reductant containing fluorine atoms in the one-step reduction and functionalization of graphene oxide.
Related reactions
31 records
Compound notes
Loading…