Basic information
- CAS
885-23-4- Standard SMILES
O=Cc1c2ccccc2nc2ccccc12- InChIKey
ISOCABSXIKQOOV-UHFFFAOYSA-N- Molecular formula
- C14H9NO
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.06841391
Overview
metabolite of carbamazepine
Names & identifiers
- Preferred name
- 9-Acridinecarboxaldehyde
- IUPAC
- acridine-9-carbaldehyde
- English name
- 9-acridinecarboxaldehyde
- Molecular formula
- C14H9NO
- Molecular weight
- 207.23
Names & synonyms
885-23-49-Acridinecarboxaldehyde9-Formylacridine9-Acridinealdehyde9-Acridine carboxaldehyde5XN5ZGH695DTXSID50237081NSC-158261RefChem:549157DTXCID50159572Acridine-9-carbaldehydeacridine-9-carboxaldehyde
Show more names
Acridin-9-carbaxaldehydeAcridine-9-carboxaldehyde 97%
9-Acridinecarboxaldehyde (8CI)(9CI)Acridine, 9-formyl-9-ACRIDINOYL9-ACRIDINECARBONYLUNII-5XN5ZGH695Acridine-9-carboxaldehyde, 97%AKOS015904343Q27456991
Database identifiers
- CAS
885-23-4- PubChem CID
- 98663
- DTXSID
DTXSID50237081- UNII
- 5XN5ZGH695
- EC Number
- 804-978-7
- Nikkaji
- J80.003A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 144 · 144-149°C
- Boiling point
- 416.4 · 416.4±18.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.7 · 2.70±0.10(Predicted)
- form
- solid
- InChI
- 1S/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H
- InChIKey
- ISOCABSXIKQOOV-UHFFFAOYSA-N
- SMILES
- O=Cc1c2ccccc2nc3ccccc13
- FDA UNII
- 5 XN5ZGH695 · 5XN5ZGH695
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesAcridine-9-carboxaldehyde (Acridine-9-carbaldehyde) is a bioactive compound with potential antibacterial and antitumor activities. Acridine-9-carboxaldehyde is widely used as a building block in compound development to synthesize various bioactive derivatives. Acridine-9-carboxaldehyde exhibits significant cytotoxicity against certain cancer cells, making it an important candidate in cancer inhibition research.
Suppliers44 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
山东李比希生物医药科技有限公司17866677155 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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