Basic information
- CAS
5553-92-4- Standard SMILES
COc1ccc(CC(C#N)C#N)cc1- InChIKey
COBXCBXJIZCGGM-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931294
Names & identifiers
- Preferred name
- 2-(4-Methoxybenzyl)malononitrile
- IUPAC
- 2-[(4-methoxyphenyl)methyl]propanedinitrile
- English name
- 2-(4-Methoxybenzyl)malononitrile
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
2-(4-methoxybenzyl)malononitrile5553-92-4DTXSID80377323RefChem:252465DTXCID403283512-[(4-methoxyphenyl)methyl]propanedinitrile(4-methoxybenzyl)malononitrileMFCD00231623p-anisylmalononitrileBionet2_000929SCHEMBL1443223COBXCBXJIZCGGM-UHFFFAOYSA-N
Show more names
RARECHEM AL BY 0082Propanedinitrile, 2-[(4-methoxyphenyl)methyl]-
HMS1366K05SBB090430AKOS005070891[(4-Methoxyphenyl)methyl]propanedinitrileCS-04535636K-004[(4-methoxyphenyl)methyl]methane-1,1-dicarbonitrile
Database identifiers
- CAS
5553-92-4- PubChem CID
- 2764141
- DTXSID
DTXSID80377323- Nikkaji
- J1.662.894H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 88 · 88-91°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
6 records
Compound notes
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