Basic information
- CAS
871723-37-4- Standard SMILES
O=C1NCc2c(Cl)cccc21- InChIKey
UCZAYZNTAWBJRF-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO
- Average molar mass
- 167.59 g/mol
- Monoisotopic mass
- 167.0137915
Names & identifiers
- Preferred name
- 4-chloro-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 4-chloro-2,3-dihydroisoindol-1-one
- English name
- 4-Chloro-2,3-dihydro-isoindol-1-one
- Molecular formula
- C8H6ClNO
- Molecular weight
- 167.59
Names & synonyms
871723-37-44-Chloro-2,3-dihydro-1H-isoindol-1-oneDTXSID20695356RefChem:291357DTXCID60646105817-423-94-Chloro-2,3-dihydroisoindol-1-one4-CHLORO-2,3-DIHYDRO-ISOINDOL-1-ONE4-CHLOROISOINDOLIN-1-ONEMFCD097012914-Chloro-1-isoindolinone1H-ISOINDOL-1-ONE, 4-CHLORO-2,3-DIHYDRO-
Show more names
4-chloro-2,3-dihydroisoindole-1-onePropanedinitrile,2-(3-cyano-4,5,5-trimethyl-2(8H)-furanylidene)-
AKOS006331851AS-75884SY057487CS-0149708EN300-208432Z1198221042SCHEMBL2379452SCHEMBL31303452
Database identifiers
- CAS
871723-37-4- PubChem CID
- 53404273
- DTXSID
DTXSID20695356- EC Number
- 817-423-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 432.9 · 432.9±45.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.38 · 13.38±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2925199590 · 2925199590
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]
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)
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%)
Safety data
- hs_code
- 2925199590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers47 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
深圳市格物致欣化学技术有限公司13226079980 · [email protected]
Related reactions
2 records
Compound notes
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