Basic information
- CAS
25170-74-5- Standard SMILES
Nc1cc(N)c(F)cc1F- InChIKey
NQFXBAQXHIUPHT-UHFFFAOYSA-N- Molecular formula
- C6H6F2N2
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04990452
Names & identifiers
- Preferred name
- 4,6-Difluorobenzene-1,3-diamine
- IUPAC
- 4,6-difluorobenzene-1,3-diamine
- English name
- 1,3-Benzenediamine,4,6-difluoro-
- Molecular formula
- C6H6F2N2
- Molecular weight
- 144.12
Names & synonyms
4,6-difluorobenzene-1,3-diamineDTXSID10324128RefChem:508073DTXCID90275245890-930-025170-74-5NSC405798NCIOpen2_003691SCHEMBL55173811,5-Diamino-2,4-difluorobenzeneABA17074AKOS006340334
Show more names
1,3-Benzenediamine,4,6-difluoro-
NSC 405798NSC-405798CS-0231194EN300-107370Z1203580421
Database identifiers
- CAS
25170-74-5- PubChem CID
- 347249
- DTXSID
DTXSID10324128- EC Number
- 890-930-0
- Nikkaji
- J2.543.928G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 232 · 232-233 °C
- Boiling point
- 256.2 · 256.2±35.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 3.55 · 3.55±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (100%): 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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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