1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-
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Basic information
- CAS
61988-37-2- Standard SMILES
Nc1ccc(OC(F)(F)C(F)F)c(N)c1- InChIKey
GZBDTUVDCDMCDU-UHFFFAOYSA-N- Molecular formula
- C8H8F4N2O
- Average molar mass
- 224.16 g/mol
- Monoisotopic mass
- 224.05727553
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-
- IUPAC
- 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine
- English name
- 4-(1,1,2,2-tetrafluoroethoxy)-3-benzenediamine
- Molecular formula
- C8H8F4N2O
- Molecular weight
- 224.16
Names & synonyms
61988-37-2BRN 28486721,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-4-(1,1,2,2-Tetrafluoroethoxy)-1,3-benzenediamineDTXSID90211022RefChem:217708DTXCID901335134-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine4-(1,1,2,2-tetrafluoroethoxy)-3-benzenediamine4-(1,1,2,2-tetrafluoro-ethoxy)-benzene-1,3-diamineMFCD00447489C8H8F4N2O
Show more names
β-Hydroperfluorethyl-(2,4-diaminophenyl)-ether4-(1,1,2,2-Tetrafluorethoxyphenylene-1,3-diamine
Cambridge id 5156745CHEMBL5008958SCHEMBL10498338GZBDTUVDCDMCDU-UHFFFAOYSA-NHMS1578A16SBB096620STK894858AKOS000115550
Database identifiers
- CAS
61988-37-2- PubChem CID
- 737095
- DTXSID
DTXSID90211022- ChEMBL
CHEMBL5008958- EC Number
- 993-680-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 297.1 · 297.1±40.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 3.92 · 3.92±0.10(Predicted)
- HS Code
- 2922190090 · 2922190090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922190090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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