Completing data — refresh the page later to see the latest
Basic information
- CAS
58534-64-8- Standard SMILES
CC(=O)Oc1ccc(C(=O)O)cc1OC(C)=O- InChIKey
FJVSTYFZOUSZCS-UHFFFAOYSA-N- Molecular formula
- C11H10O6
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.04773803
Names & identifiers
- Preferred name
- 3,4-Bis(acetyloxy)benzoic acid
- IUPAC
- 3,4-diacetyloxybenzoic acid
- English name
- 3,4-Diacetoxy-benzoic acid
- Molecular formula
- C11H10O6
- Molecular weight
- 238.19
Names & synonyms
58534-64-83,4-Bis(acetyloxy)benzoic acidBenzoic acid, 3,4-bis(acetyloxy)-DTXSID00207254RefChem:1065707DTXCID00129745261-312-23,4-Diacetoxybenzoic acid3,4-Diacetoxy-benzoic acid3,4-diacetyloxybenzoic acidProtocatechuic Acid DiacetateMFCD00017516
Show more names
RARECHEM AL BE 03823,4-bis(acetyloxy)benzoicacid3,4-bis(acetyloxy)-benzoicaci
MLS000055687SMR00006069958543-13-8EINECS 261-312-2BRN 2698785Tachistin3,4-DiacetoxybenzoicacidOpera_ID_1300
Database identifiers
- CAS
58534-64-8、58543-13-8- PubChem CID
- 94097
- DTXSID
DTXSID00207254- ChEMBL
CHEMBL1609115- EC Number
- 261-312-2
- Nikkaji
- J296.968H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO, Ethyl Acetate, Methanol
- form
- Solid
- color
- Off-White
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Applications
UsesProtocatechuic Acid Diacetate is an intermediate in the synthesis of Roflumilast (R639700), an selective phosphodiesterase 4(PDE4) inhibitor.
Suppliers9 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海拉曼达医药科技有限公司021-19921844 19921844785 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河北迈普科技有限公司0311-13231111190 17734576190 · [email protected]
Related reactions
4 records
Compound notes
Loading…