4-Fluorobenzoic acid N-methylhydrazide
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Basic information
- CAS
94401-21-5- Standard SMILES
CN(N)C(=O)c1ccc(F)cc1- InChIKey
RINJRPOTTYANET-UHFFFAOYSA-N- Molecular formula
- C8H9FN2O
- Average molar mass
- 168.17 g/mol
- Monoisotopic mass
- 168.06989108
Names & identifiers
- Preferred name
- 4-Fluorobenzoic acid N-methylhydrazide
- IUPAC
- 4-fluoro-N-methylbenzohydrazide
- English name
- 4-Fluorobenzoic acid N-methylhydrazide
- Molecular formula
- C8H9FN2O
- Molecular weight
- 168.17
Names & synonyms
4-fluorobenzoic acid n-methylhydrazideRefChem:523394630-171-294401-21-54-Fluoro-N-methylbenzohydrazideMFCD08461627Benzoic acid, 4-fluoro-, 1-methylhydrazide4-Fluorobenzoic acid N-methyl hydrazide4-fluorobenzoic acid n-methyl hydrazine4-FLUOROBENZOICACIDN-METHYLHYDRAZIDEBENZOIC ACID,4-FLUORO-, 1-METHYLHYDRAZIDESCHEMBL4831308
Show more names
4-FLUOROBENZOIC ACID N-METHYLH4-Fluorobenzoicacid1-methylhydrazide4-FluorobenzoicacidN-methylhydrazine
4-fluoro-N-methyl-benzohydrazideDTXSID40663097RINJRPOTTYANET-UHFFFAOYSA-NSBB088170AKOS006289003PS-6782N-amino(4-fluorophenyl)-N-methylcarboxamideCS-0205614
Database identifiers
- CAS
94401-21-5- PubChem CID
- 45075708
- DTXSID
DTXSID40663097- EC Number
- 630-171-2
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 162 · 162-166°C
- Boiling point
- 271.3 · 271.3±42.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 3.25 · 3.25±0.11(Predicted)
- color
- white to off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2928009090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Suppliers
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Related reactions
1 records
Compound notes
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