Basic information
- CAS
38469-85-1- Standard SMILES
COc1cccc([N+](=O)[O-])c1C#N- InChIKey
ZHJPRHIYTNVTLI-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.03784205
Names & identifiers
- Preferred name
- 2-Methoxy-6-nitrobenzonitrile
- IUPAC
- 2-methoxy-6-nitrobenzonitrile
- English name
- 2-methoxy-6-nitrobenzonitrile
- Molecular formula
- C8H6N2O3
- Molecular weight
- 178.14
Names & synonyms
2-Methoxy-6-nitrobenzonitrile6-Methoxy-2-nitrobenzonitrileBENZONITRILE, 2-METHOXY-6-NITRO-EINECS 253-961-5NSC 27010BRN 2213299DTXSID401917894-10-00-00267 (Beilstein Handbook Reference)RefChem:87878DTXCID30114280253-961-538469-85-1
Show more names
6-NITRO-O-ANISONITRILE2-Cyano-3-nitroanisole2-Methoxyl-4-nitrobenzonitrile
2-methoxy-6-nitro-benzonitrile5XEV79VYJ3NSC-27010NSC27010MFCD00053607UNII-5XEV79VYJ32-Methoxy-6-nitrobenzonitrilSCHEMBL2416277
Database identifiers
- CAS
38469-85-1- PubChem CID
- 38048
- DTXSID
DTXSID40191789- UNII
- 5XEV79VYJ3
- EC Number
- 253-961-5
- Nikkaji
- J42.007G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 173 °C · 173 °C
- Boiling point
- 364.5 · 364.5±27.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 XEV79VYJ3 · 5XEV79VYJ3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers12 total
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州安慕斯化工产品有限公司
Related reactions
10 records
Compound notes
Loading…