2,3-Dimethoxybenzamide
Basic information
- CAS
1521-39-7- Standard SMILES
COc1cccc(C(N)=O)c1OC- InChIKey
SDYIZAANGZBOSO-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 2,3-Dimethoxybenzamide
- IUPAC
- 2,3-dimethoxybenzamide
- English name
- 2,3-DIMETHOXYBENZAMIDE
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
2,3-Dimethoxybenzamide1521-39-7DTXSID60277438RefChem:81800DTXCID10228596668-204-8o-VeratramideMFCD000175712-VeratramidedimethoxybenzamideNSC2353SCHEMBL261504
Show more names
Benzamide, 2,3-dimethoxy-2,3-Dimethoxybenzamide>2,3-DIMETHOXYBENZAMIDE 98+%
CHEMBL458644SCHEMBL3556531SDYIZAANGZBOSO-UHFFFAOYSA-SDYIZAANGZBOSO-UHFFFAOYSA-NNSC 2353NSC-2353NSC40843NSC 40843
Database identifiers
- CAS
1521-39-7- PubChem CID
- 220089
- DTXSID
DTXSID60277438- ChEMBL
CHEMBL458644- EC Number
- 668-204-8
- Nikkaji
- J534.074H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 94 °C · 94°C
- Boiling point
- 273.2 · 273.2±30.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 15.4 · 15.40±0.50(Predicted)
- form
- powder to crystal
- color
- White to Yellow to Orange
- CAS DataBase Reference
- 1521 · 1521-39-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-24/25
- HS Code
- 29420000 · 29420000
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
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- hs_code
- 29420000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Suppliers
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Related reactions
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Compound notes
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