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Basic information
- CAS
54872-79-6- Standard SMILES
NC(=NO)c1cccc(F)c1- InChIKey
WPJZGPLKRBIDGD-UHFFFAOYSA-N- Molecular formula
- C7H7FN2O
- Average molar mass
- 154.14 g/mol
- Monoisotopic mass
- 154.05424106
Names & identifiers
- Preferred name
- 3-fluoro-N'-hydroxybenzene-1-carboximidamide
- IUPAC
- 3-fluoro-N'-hydroxybenzenecarboximidamide
- English name
- 3-Fluoro-N-hydroxy-benzamidine
- Molecular formula
- C7H7FN2O
- Molecular weight
- 154.14
Names & synonyms
3-fluoro-N'-hydroxybenzene-1-carboximidamideRefChem:501902106-421-73-Fluoro-N-hydroxy-benzamidine54872-79-63-Fluorobenzamidoxime3-fluoro-N'-hydroxybenzenecarboximidamideMFCD099101183-fluoro-N'-hydroxybenzimidamide3-Fluoro-N-hydroxybenzimidamideSCHEMBL102455SCHEMBL193148
Show more names
3-fluoro-N'-hydroxybenzeneformamidineBenzenecarboximidamide, 3-fluoro-N-hydroxy-
N-Hydroxy-3-fluoro-benzamidineSCHEMBL7985710SCHEMBL183005383-fluoro-N'-hydroxy-benzamidineDTXSID00399204WPJZGPLKRBIDGD-UHFFFAOYSA-NMFCD05663129(Z)-3-fluoro-N -hydroxybenzimidamide
Database identifiers
- CAS
54872-79-6- PubChem CID
- 4090972
- DTXSID
DTXSID00399204- EC Number
- 106-421-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2928009090 · 2928009090
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
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers31 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Related reactions
20 records
Compound notes
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