Basic information
- CAS
125023-51-0- Standard SMILES
CC(C)(C)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1- InChIKey
JWUUXSUVPLUBCG-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 4-(4-Tert-butyl-phenoxy)-phthalonitrile
- IUPAC
- 4-(4-tert-butylphenoxy)benzene-1,2-dicarbonitrile
- English name
- 1,2-Benzenedicarbonitrile, 4-[4-(1,1-dimethylethyl)phenoxy]-
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33244
Names & synonyms
4-(4-TERT-BUTYL-PHENOXY)-PHTHALONITRILERefChem:514520651-756-9125023-51-04-(4-tert-butylphenoxy)benzene-1,2-dicarbonitrile1,2-Benzenedicarbonitrile, 4-[4-(1,1-dimethylethyl)phenoxy]-Oprea1_380236SCHEMBL7269840DTXSID003574454-(4-t-butyl-phenoxy)-phthalonitrileAKOS001206820NCGC00335206-01
Show more names
4-(4-tert-butylphenoxy)phthalonitrile
ST45157296AB01327916-024-[4-(tert-butyl)phenoxy]benzene-1,2-dicarbonitrileZ57151567
Database identifiers
- CAS
125023-51-0- PubChem CID
- 853552
- DTXSID
DTXSID00357445- EC Number
- 651-756-9
- Nikkaji
- J684.037J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410-H319
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, 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 Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H410-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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