Basic information
- CAS
68043-53-8- Standard SMILES
O=C1CCOc2ccc([N+](=O)[O-])cc21- InChIKey
KUAWMWVXZMQZLD-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- 6-nitro-3,4-dihydro-2H-1-benzopyran-4-one
- IUPAC
- 6-nitro-2,3-dihydrochromen-4-one
- English name
- 6-Nitrochroman-4-one
- Molecular formula
- C9H7NO4
- Molecular weight
- 193.16
Names & synonyms
6-nitro-3,4-dihydro-2H-1-benzopyran-4-oneRefChem:544085676-015-76-nitrochroman-4-one68043-53-86-Nitro-chroman-4-one6-Nitro-4-Chromanone6-nitro-2,3-dihydrochromen-4-oneMFCD040381856-nitrochromanoneDTXSID704116444H-1-Benzopyran-4-one, 2,3-dihydro-6-nitro-
Show more names
6-Nitrochroman-4-one98%6-Nitrochroman-4-one 98%2,3-Dihydro-6-nitro-4H-chromen-4-one2,3-Dihydro-6-nitro-4H-chromen-4-one, 2,3-Dihydro-6-nitro-4H-1-benzopyran-4-one
PS-6292A1-00149FT-06533774H-1-Benzopyran-4-one,2,3-dihydro-6-nitro-orb3022784SCHEMBL2062631SCHEMBL6838644TPL0231
Database identifiers
- CAS
68043-53-8- PubChem CID
- 5228831
- DTXSID
DTXSID70411644- EC Number
- 676-015-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 116 · 116-119
- Boiling point
- 378.7 · 378.7±42.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light brown to brown Solid
- CAS DataBase Reference
- 68043 · 68043-53-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2932190090 · 2932190090
Safety & regulation
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers63 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司
Related reactions
16 records
Compound notes
Loading…