3-Cyano-6,7-dimethylchromone
Basic information
- CAS
94978-86-6- Standard SMILES
Cc1cc2occ(C#N)c(=O)c2cc1C- InChIKey
YBBAUISOAUXLKI-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 3-Cyano-6,7-dimethylchromone
- IUPAC
- 6,7-dimethyl-4-oxochromene-3-carbonitrile
- English name
- 3-Cyano-6,7-dimethylchromone
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.21
Names & synonyms
94978-86-63-Cyano-6,7-dimethylchromoneDTXSID70352907RefChem:278701DTXCID90303971622-294-56,7-dimethyl-4-oxo-4h-chromene-3-carbonitrile6,7-dimethyl-4-oxochromene-3-carbonitrile6,7-Dimethyl-4-oxo-4H-1-benzopyran-3-carbonitrileMFCD00191957SCHEMBL13978666AKOS015916667
Show more names
3-Cyano-6,7-dimethylchromone,98%3-CYANO-6,7-DIMETHYLCHROMONE 99%3-CYANO-6,7-DIMETHYLCHROMONE ISO 9001：2015 REACH4H-1-Benzopyran-3-carbonitrile, 6,7-dimethyl-4-oxo-JRH-00213, 6,7-Dimethyl-4-oxo-4H-chromene-3-carbonitrile, 97%
6,7-dimethyl-4-oxo-chromene-3-carbonitrileST50307536
Database identifiers
- CAS
94978-86-6- PubChem CID
- 736018
- DTXSID
DTXSID70352907- EC Number
- 622-294-5
- Nikkaji
- J2.015.871I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 206 · 206-209 °C(lit.)
- Boiling point
- 347.8 · 347.8±42.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 29329900 · 29329900
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)
Aggregated GHS information provided per 38 reports by companies from 1 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
- wgk
- 3
- hs_code
- 29329900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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