Basic information
- CAS
874880-59-8- Standard SMILES
N/C(=N\O)c1cc(F)cc(F)c1- InChIKey
GYTSCORJTXOMMI-UHFFFAOYSA-N- Molecular formula
- C7H6F2N2O
- Average molar mass
- 172.13 g/mol
- Monoisotopic mass
- 172.04481914
Names & identifiers
- Preferred name
- 3,5-Difluorobenzamidoxime
- IUPAC
- 3,5-difluoro-N'-hydroxybenzenecarboximidamide
- English name
- 3,5-Difluorobenzamidoxime
- Molecular formula
- C7H6F2N2O
- Molecular weight
- 172.13
Names & synonyms
3,5-DIFLUOROBENZAMIDOXIME874880-59-83,5-difluoro-N'-hydroxybenzene-1-carboximidamide3,5-difluoro-N'-hydroxybenzimidamideSCHEMBL641872DTXSID501258704SBB088600JS-4402CS-0457679(3,5-difluorophenyl)(hydroxyimino)methylamine3,5-Difluoro-N-hydroxybenzene-1-carboximidamideEN300-1291616
Show more names
BUTTPARK 144\07-25Benzenecarboximidamide, 3,5-difluoro-N-hydroxy-
3,5-DIFLUORO-N-HYDROXYBENZENECARBOXIMIDAMIDE
Database identifiers
- CAS
874880-59-8- PubChem CID
- 9652016
- DTXSID
DTXSID501258704
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 246.7 · 246.7±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 13.33 · 13.33±0.50(Predicted)
- color
- White
- SMILES
- FC1=CC(C(N=O)N)=CC(F)=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- WGK Germany
- 3 · WGK 3
- HS Code
- 2928009090 · 2928009090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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