Basic information
- CAS
17812-27-0- Standard SMILES
O=C1OC(=O)C2C3CCC(C3)C12- InChIKey
LQOPXMZSGSTGMF-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- Hexahydro-3,6-methanophthalic anhydride
- IUPAC
- 4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
- English name
- Hexahydro-4,7-methanoisobenzofuran-1,3-dione
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
EINECS 227-852-8Hexahydro-3,6-methanophthalic anhydrideNSC 59451RefChem:786143227-852-86004-79-1Hexahydro-4,7-methanoisobenzofuran-1,3-dione4-oxatricyclo[5.2.1.02,6]decane-3,5-dioneBicyclo[2.2.1]heptane-2,3-dicarboxylic Anhydridehexahydro-4,7-methano-2-benzofuran-1,3-dione17812-27-04-oxatricyclo[5.2.1.0<2,6>]decane-3,5-dione
Show more names
Endo Reduced Isomer of Lurasidone HClrel-(3aR,4R,7S,7aS)-Hexahydro-4,7-methanoisobenzofuran-1,3-dione4,7-Methanoisobenzofuran-1,3-dione, hexahydro-, (3aR,4R,7S,7aS)-rel-
NSC59451endo-bicyclo[2.2.1]heptane-2,3-dicarboxylic a nhydrideNORBORNANE-2EXO,3EXO-DICARBOXYLIC ACID-ANHYDRIDECHEMBL8119SCHEMBL264308Norbornanedicarboxylic anhydrideSCHEMBL6882374DTXSID30939036
Database identifiers
- CAS
17812-27-0、6004-79-1- PubChem CID
- 96196
- DTXSID
DTXSID30939036
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 167.7 °C · 167.7 °C
- Boiling point
- 325.2 · 325.2±11.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers32 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
常州卡伏勒环保材料有限公司18939353630 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
杭州大海生物医药有限公司63811159 18906514933 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
河南瑞斯奇新材料有限公司86-18903931531 18903931628 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
湖北阡陌生物科技有限公司0711-3812399 18062309155 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
河南瑞斯奇新材料有限公司+86-18903931628 +86-18903931531 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
Related reactions
1 records
Compound notes
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