Basic information
- CAS
20896-27-9- Standard SMILES
COC(=O)c1cc(Cl)c(N)cc1OC- InChIKey
ALYQFGBPEGLBLW-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO3
- Average molar mass
- 215.63 g/mol
- Monoisotopic mass
- 215.03492086
Names & identifiers
- Preferred name
- Methyl 4-amino-5-chloro-2-methoxybenzoate
- IUPAC
- methyl 4-amino-5-chloro-2-methoxybenzoate
- English name
- 4-AMINO-5-CHLORO-2-ETHOXYBENZOIC ACID
- Molecular formula
- C9H10ClNO3
- Molecular weight
- 215.63
Names & synonyms
methyl 4-amino-5-chloro-2-methoxybenzoate20896-27-9DTXSID60351444RefChem:355567DTXCID40302510827-087-54-Amino-5-chloro-o-anisic Acid Methyl EsterMFCD01034555Benzoic acid, 4-amino-5-chloro-2-methoxy-, methyl ester4-amino-5-chloro-2-methoxy-benzoic acid methyl esterHMS2459N07Benzoicacid, 4-amino-5-chloro-2-methoxy-, methyl ester
Show more names
Monostearin Impurity 34Metoclopramide Impurity 2Metoclopramide Impurity 10Methyl 4-amino-5-chloro-o-anisate
methyl 2-methoxy-4-amino-5-chlorobenzoateD94610SR-01000405600-1Metoclopramide Impurity 28MLS0000616014-Amino-5-chloro-2-methoxybenzoic Acid Methyl Ester3-Carbomethoxy-1-chloro-4-methoxyanalinemethyl 4-amino-5-chloro-2-methoxy-benzoate
Database identifiers
- CAS
20896-27-9- PubChem CID
- 700493
- DTXSID
DTXSID60351444- ChEMBL
CHEMBL1368467
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Boiling point
- 372.3 · 372.3±37.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- solid
- pka
- 0.1 · 0.10±0.10(Predicted)
- color
- Brown
- InChI
- InChI=1S/C9H10ClNO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H3
- InChIKey
- ALYQFGBPEGLBLW-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC(Cl)=C(N)C=C1OC
- CAS DataBase Reference
- 20896 · 20896-27-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2920907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 4-Amino-5-chloro-2-methoxybenzoate is used in preparation of phenoxymethylpyridine derivatives as immunomodulators.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers70 total
上海康恩博医药科技有限公司17510465506 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司
Related reactions
52 records
Compound notes
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