CAS 5132-81-0 9-Acridinecarboxylic acid, methyl ester (HCID 21211)

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Basic information

CAS: 5132-81-0
Standard SMILES: COC(=O)c1c2ccccc2nc2ccccc12
InChIKey: PGWHWYBRRVQFCI-UHFFFAOYSA-N
Molecular formula: C15H11NO2
Average molar mass: 237.25 g/mol
Monoisotopic mass: 237.07897859

Names & identifiers

Preferred name: 9-Acridinecarboxylic acid, methyl ester
IUPAC: methyl acridine-9-carboxylate
English name: Methyl 9-Acridinecarboxylate
Molecular formula: C15H11NO2
Molecular weight: 237.25

Names & synonyms

Methyl 9-acridinecarboxylateMethyl acridine-9-carboxylate5132-81-09-ACRIDINECARBOXYLIC ACID, METHYL ESTER5-CarbomethoxyacridineBRN 01935625-Carbomethoxyacridine (European)DTXSID201993245-22-03-00413 (Beilstein Handbook Reference)RefChem:107723DTXCID50121815PGWHWYBRRVQFCI-UHFFFAOYSA-N

Show more names

9-Acridinecarboxylic Acid Methyl Ester

Acridine, 9-methoxycarbonyl-methyl acridin-9-carboxylateMethyl 9-acridinecarboxylate #SCHEMBL2443270MFCD01673675AKOS030239777BS-520499-Acridinecarboxylicacid, methyl ester

Database identifiers

CAS: 5132-81-0
PubChem CID: 21211
DTXSID: DTXSID20199324
Nikkaji: J55.096E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 296

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
solubility: Chloroform
form: Solid
color: Yellow
InChI: InChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKey: PGWHWYBRRVQFCI-UHFFFAOYSA-N
SMILES: C1C2C(=NC3C(C=2C(OC)=O)=CC=CC=3)C=CC=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications

UsesMethyl 9-Acridinecarboxylate (cas# 5132-81-0) is a compound useful in organic synthesis.

Suppliers24 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

1 records

New reaction record

HRID 509199As productuspto-grants-2015_08

Compound notes

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