Basic information
- CAS
5248-29-3- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(Oc3ccccc3)c2c1- InChIKey
CKWITQOQGJPKOE-UHFFFAOYSA-N- Molecular formula
- C20H14ClNO2
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0713064
Names & identifiers
- Preferred name
- 6-Chloro-2-methoxy-9-phenoxyacridine
- IUPAC
- 6-chloro-2-methoxy-9-phenoxyacridine
- English name
- 6-CHLORO-2-METHOXY-9-PHENOXYACRIDINE
- Molecular formula
- C20H14ClNO2
- Molecular weight
- 335.78
Names & synonyms
6-chloro-2-methoxy-9-phenoxyacridineDTXSID209669125248-29-3RefChem:541539DTXCID601394527623-122-17478-26-4NSC402894CHEMBL3237353MFCD116561572-Methoxy-6-chlor-9-phenoxy-acridinNSC-402894
Show more names
6-Chloro-2-methoxy-9-phenoxyacridinAcridine, 6-chloro-2-methoxy-9-phenoxy-
DB-2427456-Chloro-2-methoxy-9-phenoxyacridine, 98%
Database identifiers
- CAS
5248-29-3、7478-26-4- PubChem CID
- 345321
- DTXSID
DTXSID20966912- ChEMBL
CHEMBL3237353- EC Number
- 623-122-1
- Nikkaji
- J1.252.556G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 153 · 153-156 °C
- Boiling point
- 515 · 515.0±30.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 4.98 · 4.98±0.10(Predicted)
- InChI
- 1S/C20H14ClNO2/c1-23-15-8-10-18-17(12-15)20(24-14-5-3-2-4-6-14)16-9-7-13(21)11-19(16)22-18/h2-12H,1H3
- InChIKey
- CKWITQOQGJPKOE-UHFFFAOYSA-N
- SMILES
- COc1ccc2nc3cc(Cl)ccc3c(Oc4ccccc4)c2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317-H319-H413
- Precautionary statements
- 280 · P280-P301+P310-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 22-36-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard statements
- H301-H317-H319-H413
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P301+P310-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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