2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid

HCID 79878
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Substructure searchFind similar structures

Basic information

CAS
5809-23-4
Standard SMILES
CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIKey
FQNKTJPBXAZUGC-UHFFFAOYSA-N
Molecular formula
C18H19NO4
Average molar mass
313.3 g/mol
Monoisotopic mass
313.13140809

Names & identifiers

Preferred name
2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
IUPAC
2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid
English name
2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid
Molecular formula
C18H19NO4
Molecular weight
313.35

Names & synonyms

5809-23-42-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acidBenzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-DTXSID4027604EINECS 227-370-8UNII-X4K32L28QBX4K32L28QBBenzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-NSC-625797DTXCID5076042-(2-HYDROXY-4-(DIETHYLAMINO)BENZOYL)BENZOIC ACID
Show more names
4-DIETHYLAMINO-2-HYDROXYBENZOPHENONE-2'-CARBOXYLIC ACID2-(4-DiethyLamino-2-hydroxybenzoyL4-Diethylaminoketone acidIsosulfan Blue Impurity 174-Diethyl ketone acid (EBA)Benzoic acid, o-(4-(diethylamino)salicyloyl)-2-[4-(diethyamino)-2-hydroxybenzoyl]benzoicacid2-Hydroxy-4-diethylamino-2'-carboxybenzophenone
2-CARBOXYL-4'-DIETHYLAMINO-2'-HYDROXY BENZOPHENONE2-HYDROXY-4-(DIETHYLAMINO)-2'-CARBOXYBENZOPHENONE4-(2-CARBOXYBENZOYL)-N,N-DIETHYL-3-HYDROXYANILINE4-(DIETHYLAMINO)-2-HYDROXY-2'-CARBOXYBENZOPHENONEO-(2-HYDROXY-4-(DIETHYLAMINO)BENZOYL)BENZOIC ACIDO-(4-(DIETHYLAMINO)-2-HYDROXYBENZOYL)BENZOIC ACID4-N,N-DIETHYLAMINO-2-HYDROXY-2'-CARBOXYBENZOPHENONE1-(2-CARBOXYBENZOYL)-4-(DIETHYLAMINO)-2-HYDROXYBENZENE

Database identifiers

CAS
5809-23-4
PubChem CID
79878
DTXSID
DTXSID4027604
ChEMBL
CHEMBL1241671
UNII
X4K32L28QB
EC Number
227-370-8
Nikkaji
J22.385I

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
23

Experimental & physicochemical properties

Collision Cross Section187.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4027604]

Physicochemical properties

Melting point
180 °C · 180°C(dec.)(lit.)
Boiling point
537.1 · 537.1±45.0 °C(Predicted)
Density
1 · 1+-.0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Dimethylformamide
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 98.1% (104 of 106) of all reports.

Not Classified

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

wgk
WGK 3
tsca
TSCA listed
rtecs
DG8545700
hs_code
29163990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-: ACTIVE
Applications · 1 item

Uses2-(4-diethylamino-2-hydroxybenzoyl)benzoic acid could synthesize a novel fluorescent matrix, a hybrid (CzR) of carbazole, i.e. 2-hydroxycarbazole and rhodamine according to acid-promoted Friedel-Crafts acylation procedure with 2-hydroxycarbazole[1].

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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