Basic information
- CAS
162046-51-7- Standard SMILES
COC(=O)c1ccc(C(=O)O)cc1OC- InChIKey
MAIDVTUHEDEKMF-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
Names & identifiers
- Preferred name
- 3-Methoxy-4-(methoxycarbonyl)benzoic acid
- IUPAC
- 3-methoxy-4-methoxycarbonylbenzoic acid
- English name
- 3-methoxy-4-(methoxycarbonyl)benzoic acid
- Molecular formula
- C10H10O5
- Molecular weight
- 210.18
Names & synonyms
3-methoxy-4-(methoxycarbonyl)benzoic acid162046-51-7RefChem:503125965-149-42-Methoxy-terephthalic acid 1-methyl ester3-methoxy-4-methoxycarbonylbenzoic acidMFCD24039315SCHEMBL7019824SCHEMBL30221732MAIDVTUHEDEKMF-UHFFFAOYSA-NSB340563-methoxy-4-(methoxycarbonyl)benzoicacid
Show more names
3-methoxy-4-methoxycarbonyl-benzoic acidDA-09630CS-0341581EN300-379337G65677F7368631-Methoxycarbonyl-2-methoxybenzene 4-carboxylic acid1,4-Benzenedicarboxylic acid, 2-methoxy-, 1-methyl ester
Database identifiers
- CAS
162046-51-7- PubChem CID
- 12398305
- EC Number
- 965-149-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 376.3 · 376.3±27.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海思阔化学科技有限公司021-33758897 · [email protected]
上海智乾生物科技有限公司[email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
Shanghai Scochem Technology Co., Ltd+86-021-33758897 +86-13701882790 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
8 records
Compound notes
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