4-Methoxybenzamide

HCID 76959

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3424-93-9
Standard SMILES: COc1ccc(C(N)=O)cc1
InChIKey: GUCPYIYFQVTFSI-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Overview

4-Methoxybenzamide is a member of benzamides.

Names & identifiers

Preferred name: 4-Methoxybenzamide
IUPAC: 4-methoxybenzamide
English name: 4-Methoxybenzamide
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

4-Methoxybenzamide3424-93-9p-Anisamidep-MethoxybenzamideBenzamide, 4-methoxy-EINECS 222-319-6NSC-11139BRN 1862847Z85FX3977ENSC 111394-10-00-00433 (Beilstein Handbook Reference)8424-93-9

Show more names

4-ANISAMIDE4-methoxy-benzamid4-Methoxybenzamide>Benzamide, 4-methoxy-4-Methoxybenzamide,97%4-Methoxyphenylformamide4-Methoxybenzamide CAS NO.3424-93-9

RefChem:524717222-319-6MFCD00007995Anisamide4-methoxy-benzamideOprea1_456315CHEMBL449635NSC11139

Database identifiers

CAS: 3424-93-9、8424-93-9
PubChem CID: 76959
DTXSID: DTXSID40879434
ChEMBL: CHEMBL449635
ChEBI: CHEBI:194912
UNII: Z85FX3977E
EC Number: 222-319-6
Nikkaji: J149.908D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP0.86

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 164 · 164-167 °C (lit.)
Boiling point: 295 °C · 295°C
Density: 1.2023 · 1.2023 (rough estimate)
refractive index: 1.581 · 1.5810 (rough estimate)
Flash point: 295 °C · 295°C
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 16.34 · 16.34±0.50(Predicted)
color: White
BRN: 1862847 · 1862847
InChI: InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey: GUCPYIYFQVTFSI-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(OC)C=C1
CAS DataBase Reference: 3424 · 3424-93-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 85 FX3977E · Z85FX3977E
NIST Chemistry Reference: p-Methoxybenzamide(3424-93-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 5466666 · CV5466666
HS Code: 29242990 · 29242990
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 5 reports by companies from 2 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: CV5466666
hs_code: 29242990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a