3-Amino-4-methoxybenzamide
Basic information
- CAS
17481-27-5- Standard SMILES
COc1ccc(C(N)=O)cc1N- InChIKey
INCJNDAQNPWMPZ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- 3-Amino-4-methoxybenzamide
- IUPAC
- 3-amino-4-methoxybenzamide
- English name
- 3-Amino-4-methoxybenzamide
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
3-Amino-4-methoxybenzamideBenzamide, 3-amino-4-methoxy-3-Amino-p-anisamide5-Amino-4-methoxybenzamideINCJNDAQNPWMPZ-UHFFFAOYSA-EINECS 241-497-6DTXSID4066206RefChem:92909DTXCID7035569241-497-6InChI=1/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)INCJNDAQNPWMPZ-UHFFFAOYSA-N
Show more names
AMBA BASEFAST RED KL BASEAzoic DC 121(base)3-AMINO-4-ANISAMIDE3-amino-4-methoxy-benzamid4-Methoxy-3-aminobenzamide
17481-27-5MFCD000171323-Amino-4-methoxy-benzamideCambridge id 5306680Oprea1_735966(3-Amino-4-methoxybenzoyl)amine3-Amino-4-Methoxy BenzamideMLS000105652
Database identifiers
- CAS
17481-27-5- PubChem CID
- 87135
- DTXSID
DTXSID4066206- ChEMBL
CHEMBL1894286- UNII
- WG65786LJC
- EC Number
- 241-497-6
- Nikkaji
- J62.004A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 124 · 124-127°C
- Boiling point
- 318.4 · 318.4±27.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- RT, protect from light, stored under nitrogen
- pka
- 16.59 · 16.59±0.50(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light red
- InChI
- InChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
- InChIKey
- INCJNDAQNPWMPZ-UHFFFAOYSA-N
- SMILES
- C(N)(=O)C1=CC=C(OC)C(N)=C1
- CAS DataBase Reference
- 17481 · 17481-27-5(CAS DataBase Reference)
- NIST Chemistry Reference
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 6 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
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- risk_code
- 36/37/38-43-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 3-amino-4-methoxy-: ACTIVE
Applications
Uses3-Amino-4-methoxybenzamide is used as a dye intermediate, mainly as a color developer for dyeing and printing cotton fabrics.
Preparation methods
Preparation1-Methoxy-2-nitrobenzene with Chloromethyl methyl ether methylation, hydrolysis, oxidation, phosphorus trichloride chloride, ammonia solution, and then with sodium sulfide..
Suppliers
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Related reactions
7 records
Compound notes
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