Basic information
- CAS
19667-37-9- Standard SMILES
O=C1c2ccccc2C(=O)N1CC(O)CCl- InChIKey
KBRVYEPWGIQEOF-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO3
- Average molar mass
- 239.65 g/mol
- Monoisotopic mass
- 239.0349209
Names & identifiers
- Preferred name
- N-(3-Chloro-2-hydroxypropyl)-phthalimide
- IUPAC
- 2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
- English name
- 2-(3-Chloro-2-hydroxypropyl)-2H-isoindole-1,3-dione
- Molecular formula
- C11H10ClNO3
- Molecular weight
- 239.65
Names & synonyms
N-(3-CHLORO-2-HYDROXYPROPYL)-PHTHALIMIDERefChem:826283654-931-819667-37-92-(3-chloro-2-hydroxypropyl)isoindoline-1,3-dione2-(3-chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione2-(3-Chloro-2-hydroxypropyl)-2H-isoindole-1,3-dione2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dionen-(3-chloro-2-hydroxypropyl)phthalimide2-(3-chloro-2-hydroxypropyl)-2,3-dihydro-1H-isoindole-1,3-dioneMFCD000861981H-Isoindole-1,3(2H)-dione, 2-(3-chloro-2-hydroxypropyl)-
Show more names
Rivaroxaban Impurity 120
1-chloro-3-phthalimido-2-propanolNSC-954312-(3-chloro-2-hydroxypropyl)benzo[c]azoline-1,3-dione2-(3-Chloro-2-hydroxy-propyl)-isoindole-1,3-dioneNSC95431CHF45JQ5UPSCHEMBL690001SJM-SM-3-IM-4
Database identifiers
- CAS
19667-37-9- PubChem CID
- 262103
- DTXSID
DTXSID60294241
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 95 · 95-96.5 °C
- Boiling point
- 405.4 · 405.4±35.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.25 · 13.25±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-(3-Chloro-2-hydroxypropyl)-1H-isoindole-1,3(2H)-dione has been used in yeast biosynthesis of (S)-adrenergic β-blockers by stereoselective reduction of haloketones. It has also been used in a validated LC-MS/MS method for the determination of three genotoxic impurities in rivaroxaban drug substance.
Suppliers25 total
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
4 records
Compound notes
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