5-Chloro-1-methylindole-2,3-dione
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Basic information
- CAS
60434-13-1- Standard SMILES
CN1C(=O)C(=O)c2cc(Cl)ccc21- InChIKey
NJOPQQPDPYWFFA-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO2
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0087061
Names & identifiers
- Preferred name
- 5-Chloro-1-methylindole-2,3-dione
- IUPAC
- 5-chloro-1-methylindole-2,3-dione
- English name
- 5-chloro-1-methyl-1H-indole-2,3-dione
- Molecular formula
- C9H6ClNO2
- Molecular weight
- 195.6
Names & synonyms
5-Chloro-1-methylindoline-2,3-dione60434-13-15-Chloro-1-methyl-1H-indole-2,3-dione5-chloro-1-methylindole-2,3-dione5-Chloro-1-methylisatin1H-Indole-2,3-dione, 5-chloro-1-methyl-EINECS 262-231-5N3H5SVZ7X25-CHLORO-N-METHYLISATIN5-CHLORO-1-METHYL-INDOLE-2,3-DIONEDTXSID202091791-METHYL-5-CHLORO-2,3-INDOLEDIONE
Show more names
5-Chloro-1-methyl-2,3-indolinedione1-Methyl-5-chloroindoline-2,3-dione5-chloro-1-methyl-1H-indole-2,3-dione(SALTDATA: FREE)
RefChem:534303DTXCID90131670262-231-5MFCD02956479UNII-N3H5SVZ7X25-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dioneCHEMBL3443205-chloro-1-methyl-indoline-2,3-dione
Database identifiers
- CAS
60434-13-1- PubChem CID
- 108941
- DTXSID
DTXSID20209179- ChEMBL
CHEMBL344320- UNII
- N3H5SVZ7X2
- EC Number
- 262-231-5
- Nikkaji
- J268.194C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 175 to · 175.0 to 179.0 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Orange to Red
- λmax
- 426 nm · 426nm(EtOH)(lit.)
- FDA UNII
- 3 H5SVZ7X2 · N3H5SVZ7X2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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