Basic information
- CAS
794-94-5- Standard SMILES
COc1ccc(C(=O)OC(=O)c2ccc(OC)cc2)cc1- InChIKey
YGMHIBLUWGDWKP-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- p-Anisic anhydride
- IUPAC
- (4-methoxybenzoyl) 4-methoxybenzoate
- English name
- 4-Methoxybenzoic anhydride
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
4-Methoxybenzoic anhydride794-94-5p-Anisic anhydridep-Anisic acid anhydrideBenzoic acid, 4-methoxy-, anhydridep-Methoxybenzoic anhydride4-Anisic anhydride4-Methoxybenzoic acid anhydrideEINECS 212-345-6NSC 101011BRN 05457128835J9XXY8
Show more names
Dianisic anhydridep-anisicacidanhydrideDiclazuril Impurity?11p-Anisic Anhydride PMBA4-Methoxyphenyl anhydridep-methoxybenzoicanhydride
NSC-101011UNII-8835J9XXY8DTXSID402296374-10-00-00394 (Beilstein Handbook Reference)BENZOIC ACID, 4-METHOXY-, 1,1'-ANHYDRIDERefChem:169282DTXCID90152128212-345-6
Database identifiers
- CAS
794-94-5- PubChem CID
- 69928
- DTXSID
DTXSID40229637- UNII
- 8835J9XXY8
- EC Number
- 212-345-6
- Nikkaji
- J55.237B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 92 · 92-97 °C(lit.)
- Boiling point
- 310 °C · 310 °C / 10mmHg
- Density
- 1.2638 · 1.2638 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- Soluble in alcohol, ether. Insoluble in water.
- Sensitive
- Moisture Sensitive
- BRN
- 545712 · 545712
- CAS DataBase Reference
- 794 · 794-94-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
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 44 reports by companies from 4 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
- wgk
- 3
- rtecs
- BZ5300000
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT, MOISTURE SENSITIVE
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Methoxybenzoic anhydride is used as pharmaceutical intermediates.
Upstream & downstream products
Downstream products
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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