4-Methoxybenzohydrazide
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Basic information
- CAS
3290-99-1- Standard SMILES
COc1ccc(C(=O)NN)cc1- InChIKey
REKQLYUAUXYJSZ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422756
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Methoxybenzohydrazide
- IUPAC
- 4-methoxybenzohydrazide
- English name
- p-Anisohydrazide
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
4-Methoxybenzohydrazide4-Methoxybenzhydrazide3290-99-1p-Anisic hydrazide4-Methoxybenzoic acid hydrazideBenzoic acid, 4-methoxy-, hydrazideAnisic acid hydrazide(p-Methoxybenzoyl)hydrazinep-Methoxybenzoic hydrazidep-Methoxybenzoic acid hydrazide4-Methoxybenzoyl hydrazideNSC-76223
Show more names
AKOS 92185anisichydrazidep-anisohydrazideAKOS BBS-00004504anisicacidhydrazide
33BK77102IRefChem:524723221-952-5p-AnisoylhydrazineAnisic hydrazide4-MethoxybenzoylhydrazineAnisoylhydrazinep-Anisic acid, hydrazide
Database identifiers
- CAS
3290-99-1- PubChem CID
- 76792
- DTXSID
DTXSID60186556- ChEMBL
CHEMBL1588015- UNII
- 33BK77102I
- EC Number
- 221-952-5
- Nikkaji
- J30.701G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
LogP0.25
Solubility24.5 [ug/mL] (The mean of the results at pH 7.4)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 136 · 136-140 °C(lit.)
- Boiling point
- 294.38 °C · 294.38°C (rough estimate)
- Density
- 1.2265 · 1.2265 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 12.65 · 12.65±0.10(Predicted)
- color
- White to Orange to Green
- Water Solubility
- Slightly soluble in water.
- BRN
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]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- BZ4800000
- hs_code
- 2928009090
- Toxicity
- LD50 ivn-mus: 178 mg/kg CSLNX* NX#00894
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methoxybenzhydrazide is used as pharmaceutical intermediates and it is also involved in a variety of organic synthesis.
Uses4-Methoxybenzhydrazide may be used to synthesize:N′-[(E)-5-bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazolehydrazone ligands, which readily forms ruthenium(II) hydrazone complexes via reaction with [RuHCl(CO)(PPh3)3]
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
34 records
Compound notes
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