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Basic information
- CAS
2439-77-2- Standard SMILES
COc1ccccc1C(N)=O- InChIKey
MNWSGMTUGXNYHJ-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 2-Methoxybenzamide
- IUPAC
- 2-methoxybenzamide
- English name
- 2-Methoxybenzamide
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
2-Methoxybenzamide2439-77-2o-Methoxybenzamideo-AnisamideBenzamide, 2-methoxy-Benzamide, o-methoxy-H.P. 208WRY8DDN8YCEINECS 219-465-8NSC 84232NSC-84232BRN 2439526
Show more names
h.p.2082-ANISAMIDEo-methoxy-benzamid2-methoxy-benzamid
ORTHOPRAMIDEDTXSID6022189RefChem:474553Benzamide, 2-methoxy-(9CI)DTXCID402189219-465-8MethoxybenzamideMFCD00017120
Database identifiers
- CAS
2439-77-2、27193-81-3- PubChem CID
- 75540
- DTXSID
DTXSID6022189- ChEMBL
CHEMBL2436421- UNII
- WRY8DDN8YC
- EC Number
- 219-465-8
- Nikkaji
- J54.820K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 127 · 127-128°C
- Boiling point
- 273.17 °C · 273.17°C (rough estimate)
- Density
- 1.2023 · 1.2023 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.59 · 15.59±0.50(Predicted)
- color
- Plates from water
- BRN
- 2439526 · 2439526
- CAS DataBase Reference
- 2439 · 2439-77-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 DDN8YC · WRY8DDN8YC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- rtecs
- CV5460000
- Toxicity
- LD50 ipr-rat: 450 mg/kg JPETAB 108,450,53
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37
- hazard_class
- IRRITANT
- Hazard statements
Chemistry & industry
Applications
Uses2-Methoxybenzamide is used as a reagent in the synthesis of benzohydroxamic acids which are potent and selective anti-hepatitis C virus (HCV) agents.
Upstream & downstream products
Downstream products
Suppliers67 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
10 records
Compound notes
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