Basic information
- CAS
58243-83-7- Standard SMILES
Cc1cc2c(cc1C#N)C(C)(C)CCC2(C)C- InChIKey
JMVYINPIOHLYMK-UHFFFAOYSA-N- Molecular formula
- C16H21N
- Average molar mass
- 227.34 g/mol
Names & identifiers
- Preferred name
- 6-Cyano-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonitrile
- English name
- 3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
- Molecular formula
- C16H21N
- Molecular weight
- 227.34464
Names & synonyms
6-CYANO-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENERefChem:54200058243-83-7661-466-4SCHEMBL4668158JMVYINPIOHLYMK-UHFFFAOYSA-NAKOS0243252032-cyano-3-methyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenecarbonitrile3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Database identifiers
- CAS
58243-83-7- PubChem CID
- 3553439
- EC Number
- 661-466-4
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
绵阳凯新医药科技有限公司816-816-2551723 18681628050 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
4 records
Compound notes
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