Basic information
- CAS
62541-59-7- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C=NCC2- InChIKey
GVHORNVRKMSZLA-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 7-Nitro-3,4-dihydroisoquinoline
- IUPAC
- 7-nitro-3,4-dihydroisoquinoline
- English name
- 7-Nitro-3,4-dihydroisoquinoline
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
7-nitro-3,4-dihydroisoquinoline62541-59-7DTXSID40395922RefChem:311123DTXCID30346781MFCD01529683Isoquinoline, 3,4-dihydro-7-nitro-Oprea1_211614SCHEMBL7512503SCHEMBL29384349GVHORNVRKMSZLA-UHFFFAOYSA-NSTK377497
Show more names
3,4-dihydro-7-nitroIsoquinoline7-Nitro-3,4-dihydroisoquinoline ,97%
AKOS005449040AB09170AS-60779DB-073143D80171
Database identifiers
- CAS
62541-59-7- PubChem CID
- 3751287
- DTXSID
DTXSID40395922- Nikkaji
- J1.032.763F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Safety Statements
- 24 · 24/25
- HS Code
- 29334900 · 29334900
Safety & regulation
Safety data
- hs_code
- 29334900
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海石洋化工有限公司
Related reactions
9 records
Compound notes
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