Basic information
- CAS
14352-51-3- Standard SMILES
NC1=NC(=O)c2ccccc21- InChIKey
MMBYJYAFFGKUDC-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- 1H-Isoindol-1-one, 3-amino-
- IUPAC
- 3-aminoisoindol-1-one
- English name
- 3-Iminoisoindolinone
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
3-IminoisoindolinoneRefChem:438786DTXCID7034678238-314-71H-Isoindol-1-one, 3-amino-DTXSID706575814352-51-33-Amino-1H-isoindol-1-one3-Iminoisoindolin-1-one3-aminoisoindol-1-one3-imino-2,3-dihydro-1h-isoindol-1-oneaminoisoindolone
Show more names
iminophthalimidine3-iminophthalimidine3-imino-phthalimidinphthalimidemonoimine1-Oxo-3-iminoisoindoline3-amino-1h-isoindol-1-on
160956-19-41H-Isoindol-3-ol,1-imino-,(E)-(9CI)3-Iminoisoindolinone, 97%SCHEMBL160837SCHEMBL994081SCHEMBL29497778SCHEMBL31131321ALBB-032711
Database identifiers
- CAS
14352-51-3- PubChem CID
- 84381
- EC Number
- 238-314-7
- Nikkaji
- J2.723.236A、J28.640K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 208 · 208-210 °C(lit.)
- Boiling point
- 336.3 · 336.3±25.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.86 · 1.86±0.20(Predicted)
- EPA Substance Registry System
- 1 H-Isoindol-1-one, · 1H-Isoindol-1-one, 3-amino- (14352-51-3)
- 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
- WGK Germany
- 3 · 3
- RTECS
- 5695600 · TI5695600
- TSCA
- TSCA listed
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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TI5695600
- 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
Uses & manufacturing
General Manufacturing Information1H-Isoindol-1-one, 3-amino-: ACTIVE
Suppliers9 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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