Basic information
- CAS
42152-99-8- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCCCl- InChIKey
WUXVKQNZTXLHLL-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0556563
Names & identifiers
- Preferred name
- 2-(4-Chloro-butyl)-isoindole-1,3-dione
- IUPAC
- 2-(4-chlorobutyl)isoindole-1,3-dione
- English name
- 2-(4-Chloro-butyl)-isoindole-1,3-dione
- Molecular formula
- C12H12ClNO2
- Molecular weight
- 237.68
Names & synonyms
42152-99-82-(4-CHLORO-BUTYL)-ISOINDOLE-1,3-DIONE2-(4-chlorobutyl)isoindole-1,3-dioneN-(4-Chlorobutyl)phthalimide2-(4-Chlorobutyl)-1H-isoindole-1,3(2H)-dioneN-(4-chlorobutyl)-phthalimideSCHEMBL2884712N-(4-chloro-butyl)-phthalimideDTXSID20344190AKOS010991251DA-28226H81452
Show more names
2-(4-chlorobutyl)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(4-chlorobutyl)-
2-(4-Chlorobutyl)-1H-isoindole-1,3(2H)-dione #
Database identifiers
- CAS
42152-99-8- PubChem CID
- 594931
- DTXSID
DTXSID20344190- EC Number
- 150-613-3
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 76.5 °C · 76.5 °C
- Boiling point
- 365.7 · 365.7±25.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- -2.14 · -2.14±0.20(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (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 CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Chemistry & industry
Suppliers5 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
上海鑫科泰生物科技有限公司18043446684 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
1 records
Compound notes
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