5,5'-Methylenedianthranilic acid
Basic information
- CAS
6268-06-0- Standard SMILES
Nc1ccc(Cc2ccc(N)c(C(=O)O)c2)cc1C(=O)O- InChIKey
QRUWUSOUUMPANJ-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- 5,5'-Methylenedianthranilic acid
- IUPAC
- 2-amino-5-[(4-amino-3-carboxyphenyl)methyl]benzoic acid
- English name
- 5,5'-Methylenebis(2-aminobenzoic Acid)
- Molecular formula
- C15H14N2O4
- Molecular weight
- 286.28
Names & synonyms
7330-46-35,5'-Methylenedianthranilic acidbis(4-amino-3-carboxyphenyl)methaneWAN82A3TCL5,5'-Methylenebis(anthranilic acid)NSC-37136CCRIS 8068EINECS 230-830-0DTXSID60223536Benzoic acid, 3,3'-methylenebis[6-amino-4,4'-diamino-3,3'-dicarboxydiphenylmethaneBENZOIC ACID, 3,3'-METHYLENEBIS(6-AMINO-
Show more names
MBAA3,3'-Dicarboxy-4,4'-diaminodiphenylmethaneCB 37136NCI 37136Aids019264Aids-019264AKOS BBS-00003100CHEMBRDG-BB 51805046,6'-Diaminodiphenylmethane6,6'-Diaminodiphenylmethane
RefChem:527659DTXCID90146027230-830-02-amino-5-[(4-amino-3-carboxyphenyl)methyl]benzoic acid5,5'-methylenebis(2-aminobenzoic acid)3,3'-Methylenebis(6-aminobenzoic acid)MFCD00059640CHEMBL1370674
Database identifiers
- CAS
6268-06-0、7330-46-3- PubChem CID
- 80444
- DTXSID
DTXSID60223536- ChEMBL
CHEMBL1370674- UNII
- WAN82A3TCL
- EC Number
- 230-830-0
- Nikkaji
- J39.616H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 262 ℃ · 262℃ (water acetic acid )
- Boiling point
- 576.4 · 576.4±50.0 °C(Predicted)
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 2.24 · 2.24±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)
- InChIKey
- QRUWUSOUUMPANJ-UHFFFAOYSA-N
- SMILES
- C(C1C=CC(N)=C(C=1)C(O)=O)C1C=CC(N)=C(C=1)C(O)=O
- FDA UNII
- 82 A3TCL · WAN82A3TCL
- Comptox DTXSID
- 60223536 · DTXSID60223536
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- 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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses5,5'-Methylenebis(2-aminobenzoic Acid) (MBA) is a polymer monomer used in the synthesis of polyimides.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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