Completing data — refresh the page later to see the latest
Basic information
- CAS
15362-40-0- Standard SMILES
O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl- InChIKey
JCICIFOYVSPMHG-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2NO
- Average molar mass
- 278.1 g/mol
- Monoisotopic mass
- 277.00611927
Names & identifiers
- Preferred name
- Diclofenac lactam
- IUPAC
- 1-(2,6-dichlorophenyl)-3H-indol-2-one
- English name
- 1-(2,6-Dichlorophenyl)-2-hydroindole
- Molecular formula
- C14H9Cl2NO
- Molecular weight
- 278.13
Names & synonyms
Diclofenac lactamRefChem:111352315362-40-01-(2,6-Dichlorophenyl)-2-indolinone1-(2,6-Dichlorophenyl)indolin-2-oneDiclofenac Amide1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one1-(2,6-Dichlorophenyl)oxindole1-(2,6-dichlorophenyl)-3H-indol-2-oneMFCD00451393Diclofenac EP Impurity A2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-
Show more names
indolonehydroxyindoleDiclofenac Related CoMpound A6-Dichlorophenyl)-2-indolinoneNSC 621845Dichlofenac Lactam
DTXSID6046979N-(2,6-Dichlorophenyl)-2-indolinone1,3-Dihydro-1-(2,6-dichlorophenyl)-2H-indol-2-one1-(2,6-dichlorophenyl)-2,3-dihydro-1H-indol-2-oneCL5Y02756K1-(2,6-Dichloro-phenyl)-1,3-dihydro-indol-2-oneF1236-0045NSC-621845
Database identifiers
- CAS
15362-40-0- PubChem CID
- 27211
- DTXSID
DTXSID6046979- ChEMBL
CHEMBL487716- UNII
- CL5Y02756K
- EC Number
- 239-399-3、928-201-7
- Nikkaji
- J26.825I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
DrugsPharmaceutical
Collision Cross Section153.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6046979]
Physicochemical properties
- Melting point
- 115 · 115-119°C
- Boiling point
- 488.6 · 488.6±45.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -4.85 · -4.85±0.20(Predicted)
- form
- solid
- color
- Off-White to Light Brown
- BRN
- 1538309 · 1538309
- Stability
- Stability
- InChI
- 1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2
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
This chemical does not meet GHS hazard criteria for 3.1% (2 of 65) of reports.
Warning
H302 (15.4%): 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 65 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18390
Hazard Classes and CategoriesAcute Tox. 4 (15.4%)
Safety data
- wgk
- 3
- rtecs
- NM3259200
- hs_code
- 29337900
- Toxicity
- mouse,LD50,unreported,1200mg/kg (1200mg/kg),Pharmaceutical Chemistry Journal Vol. 21, Pg. 275, 1987.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
Chemistry & industry
Applications
Uses1-(2,6-Dichlorophenyl)indolin-2-one is a potential prodrug of Diclofenac and possible impurity during its commercial synthesis. It is Aceclofenac EP Impurity I and Diclofenac Impurity A.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
Related reactions
10 records
Compound notes
Loading…