m-Anisohydrazide

HCID 79848CAS 5785-06-8

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc(C(=O)NN)c1
InChIKey: VMZSDAQEWPNOIB-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422756

Names & identifiers

Preferred name: m-Anisohydrazide
IUPAC: 3-methoxybenzohydrazide
English name: 3-Methoxybenzhydrazide
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

3-Methoxybenzhydrazide3-Methoxybenzohydrazidem-Anisic hydrazidem-Anisohydrazide3-methoxybenzenecarbohydrazide2VLT2WS4TYm-methoxybenzohydrazidem-Methoxy benzhydrazideDTXSID60206561M-METHOXYBENZOYLHYDRAZIDEM-METHOXYBENZOIC HYDRAZIDEEINECS 227-310-0

Show more names

AKOS B0202803-Anisic hydrazideM-ANISOYLHYDRAZINELABOTEST-BB LT00451969m-Anisic hydrazide 98%3-METHOXYBENZOYLHYDRAZINE

M-METHOXYBENZOIC ACID HYDRAZIDERefChem:154858DTXCID90129052227-310-0InChI=1/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11VMZSDAQEWPNOIB-UHFFFAOYSA-N5785-06-8MFCD00007601

Database identifiers

CAS: 5785-06-8
PubChem CID: 79848
DTXSID: DTXSID60206561
UNII: 2VLT2WS4TY
EC Number: 227-310-0
Nikkaji: J150.059G

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Experimental & physicochemical properties

LogP0.4

Physicochemical properties

Melting point: 93 · 93-95 °C (lit.)
Density: 1.178 · 1.178±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 12.21 · 12.21±0.10(Predicted)
form: powder to crystal
color: White to Gray to Brown
BRN: 2092135 · 2092135
InChI: 1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey: VMZSDAQEWPNOIB-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C(=O)NN
CAS DataBase Reference: 5785 · 5785-06-8(CAS DataBase Reference)
FDA UNII: 2 VLT2WS4TY · 2VLT2WS4TY
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29280000 · 29280000
Storage Class: 11 · 11 - Combustible Solids

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
hs_code: 29280000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 1 item

Usesm-Anisic hydrazide has been used in the preparation of Schiff base ligands:(5-chlorosalicylaldehyde furan-1-carbohydrazonato) hexamethylphosphoramide dioxomolybdenum (VI) dimethylformamide solvate5-chlorosalicylaldehyde 3-methoxy-benzo hydrazone(5-chlorosalicylaldehyde 3-methoxy-benzylhydrazonato) dimethylsulfoxide dioxomolybdenum (VI)