Basic information
- CAS
7470-38-4- Standard SMILES
O=C(O)c1ccc(N2CCOCC2)cc1- InChIKey
XVAJKPNTGSKZSQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 4-(Morpholin-4-yl)benzoic acid
- IUPAC
- 4-morpholin-4-ylbenzoic acid
- English name
- 4-Morpholinobenzoic acid
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
4-(morpholin-4-yl)benzoic acidDTXSID60996238RefChem:516420DTXCID601423257626-154-44-Morpholinobenzoic acid7470-38-44-(4-Morpholinyl)benzoic Acid4-morpholin-4-ylbenzoic acid4-Morpholin-4-yl-benzoic acidMFCD005883794-Morpholinobenzenecarboxylic acid
Show more names
AKOS B022043BUTTPARK 98\50-28RARECHEM AL BE 1130TIMTEC-BB SBB007143CHEMBRDG-BB 4400213ART-CHEM-BB B022043OTAVA-BB BB53002700084-MorpholinobenzoicAcip-Morpholinobenzoic Acid
Benzoic acid, 4-(4-morpholinyl)-NSC402784Oprea1_138719Oprea1_813391SCHEMBL606484-(4-Morpholinyl)benzoicAcid4-morpholin-4-yl benzoic acidCHEBI:183418
Database identifiers
- CAS
7470-38-4- PubChem CID
- 345278
- DTXSID
DTXSID60996238- ChEBI
CHEBI:183418- EC Number
- 626-154-4
- Nikkaji
- J2.357.410A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 278 °C · 278 °C
- Boiling point
- 413.2 · 413.2±40.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.7 · 4.70±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Moisture & Light Sensitive
- InChI
- 1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
- InChIKey
- XVAJKPNTGSKZSQ-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(cc1)N2CCOCC2
- CAS DataBase Reference
- 7470 · 7470-38-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(4-Morpholinyl)benzoic acid, is used as an intermediate in organic synthesis. The water based additive is used in a variety of applications as a heat-sealing and anti-blocking agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers98 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [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]
Henan Rane Chemical Co., Ltd.
Related reactions
92 records
Compound notes
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