Basic information
- CAS
828-73-9- Standard SMILES
NNc1c(F)c(F)c(F)c(F)c1F- InChIKey
BYCUWCJUPSUFBX-UHFFFAOYSA-N- Molecular formula
- C6H3F5N2
- Average molar mass
- 198.09 g/mol
- Monoisotopic mass
- 198.0216392
Names & identifiers
- Preferred name
- (Pentafluorophenyl)hydrazine
- IUPAC
- (2,3,4,5,6-pentafluorophenyl)hydrazine
- English name
- Pentafluorophenylhydrazine
- Molecular formula
- C6H3F5N2
- Molecular weight
- 198.09
Names & synonyms
Pentafluorophenylhydrazine828-73-9(Pentafluorophenyl)hydrazine(Perfluorophenyl)hydrazine(2,3,4,5,6-pentafluorophenyl)hydrazineHYDRAZINE, (PENTAFLUOROPHENYL)-K97PJY742JDTXSID20232003NSC-88334RefChem:70195DTXCID80154494212-586-7
Show more names
PFPHNSC 88334WLN: ZMR BF CF DF EF FF(pentafluorophenyl)-hydrazinPentafluorophenylhydrazine>Pentafluorophenylhydrazine97%1-(Pentafluorophenyl)hydrazine
Pentafluorophenyl hydrazineEINECS 212-586-7MFCD00007574Pentafluorophenylhydrazine, 97%ZB14612,3,4,5,6-pentafluorophenylhydrazineSY0447921-(2,3,4,5,6-Pentafluorophenyl)hydrazine
Database identifiers
- CAS
828-73-9- PubChem CID
- 13236
- DTXSID
DTXSID20232003- UNII
- K97PJY742J
- EC Number
- 212-586-7
- Nikkaji
- J49.290F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Hydrazines
Physical DescriptionTan flakes; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 74 · 74-76 °C(lit.)
- Boiling point
- 117.6 · 117.6±40.0 °C(Predicted)
- Density
- 1.498 · 1.4980 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in methanol.
- pka
- 4.05 · 4.05±0.40(Predicted)
- form
- powder to crystal
- color
- White to Brown
- Sensitive
- Air Sensitive
- BRN
- 747800 · 747800
- InChI
- InChI=1S/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2
- InChIKey
- BYCUWCJUPSUFBX-UHFFFAOYSA-N
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
H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Hexafluorobenzene. See Phenylhydrazine.
Hazard Classes and CategoriesSkin Irrit. 2 (91.8%)
Safety data
- wgk
- 3
- rtecs
- MV8325000
- ridadr
- 2811
- hs_code
- 29280000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
UsesPentafluorophenylhydrazine used to determine the purity of N-tert-butyl-N-[1-diethylphosphono-(2,2-dimethylpropyl)]nitroxide (DEPN) using 1H NMR spectroscopy.
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]
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
6 records
Compound notes
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