5-Amino-1,2,3-benzenetricarboxylic acid

HCID 14434861CAS 37141-01-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1
InChIKey
DEMLNKQMKMBNIU-UHFFFAOYSA-N
Molecular formula
C9H7NO6
Average molar mass
225.15 g/mol
Monoisotopic mass
225.02733694

Names & identifiers

Preferred name
5-Amino-1,2,3-benzenetricarboxylic acid
IUPAC
5-aminobenzene-1,2,3-tricarboxylic acid
English name
1-Aminobenzene-3,4,5-tricarboxylic acid
Molecular formula
C9H7NO6
Molecular weight
225.15

Names & synonyms

5-Amino-1,2,3-benzenetricarboxylic acidRefChem:531926609-332-637141-01-85-aminobenzene-1,2,3-tricarboxylic acid1-Aminobenzene-3,4,5-tricarboxylic acid1,2,3-BENZENETRICARBOXYLIC ACID, 5-AMINO-MFCD03839869SCHEMBL743743DTXSID30560223AKOS015888135AB16271
Show more names
SKL2043,4,5-tricarboxyaniline3,4,5-Tricarboxylic Acid Aniline1-Aminobenzene-3,4,5-TricarboxylicAci-Aminobenzene-3,4,5-tricarboxylic acid5-Amino-Benzene-1,2,3-TricaSNoxylic Acid
FA439945-aminobenzene-1,2,3-tricarboxylicacidAC-30321AS-36894SY1096155-amino-benzene-1,2,3-tricarboxylic acidDB-025303CS-0157741

Database identifiers

CAS
37141-01-8
PubChem CID
14434861
DTXSID
DTXSID30560223
EC Number
609-332-6
Nikkaji
J3.457.768D

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
138 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
360 °C · >360 °C(Solv: water (7732-18-5))
Boiling point
575.2 · 575.2±50.0 °C(Predicted)
Density
1.741 · 1.741±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
2.96 · 2.96±0.30(Predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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