4-Methoxybenzohydrazide

HCID 76792CAS 3290-99-1
Substructure searchFind similar structures

Basic information

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 properties

XLogP
0.2
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications · 2 items

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

34 records
New reaction record

Linked notes

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