5-(4-tert-Butylphenyl)dipyrromethane
Basic information
- CAS
167482-98-6- Standard SMILES
CC(C)(C)c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1- InChIKey
SLPZWMKFAWAFSE-UHFFFAOYSA-N- Molecular formula
- C19H22N2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.17829871
Names & identifiers
- Preferred name
- 5-(4-tert-Butylphenyl)dipyrromethane
- IUPAC
- 2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
- English name
- 5-(4-tert-Butylphenyl)dipyrromethane 9&
- Molecular formula
- C19H22N2
- Molecular weight
- 278.39
Names & synonyms
5-(4-tert-Butylphenyl)dipyrromethaneRefChem:530510634-100-6167482-98-62-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole1H-Pyrrole, 2,2'-[[4-(1,1-dimethylethyl)phenyl]methylene]bis-alpha-(4-tert-Butylphenyl)di(2-pyrrolyl)methane2,2'-((4-(tert-Butyl)phenyl)methylene)bis(1H-pyrrole)2,2'-(4-tert-Butylphenyl)methylenebispyrrole2-[(4-TERT-BUTYLPHENYL)(1H-PYRROL-2-YL)METHYL]-1H-PYRROLEMFCD09027316SCHEMBL8986298
Show more names
5-(4-tert-Butylphenyl)dipyrromethane 9&α-(4-tert-Butylphenyl)di(2-pyrrolyl)methane^a-(4-tert-Butylphenyl)di(2-pyrrolyl)methane,99%^a-(4-tert-Butylphenyl)di(2-pyrrolyl)Methane, 99%alpha-(4-tert-Butylphenyl)di(2-pyrrolyl)methane, 99%
DTXSID70401166SLPZWMKFAWAFSE-UHFFFAOYSA-NMFCD03454220AKOS015898324AKOS025394438AS-71275SY363033CS-0447813
Database identifiers
- CAS
167482-98-6- PubChem CID
- 4245355
- DTXSID
DTXSID70401166- EC Number
- 634-100-6
- Nikkaji
- J1.278.099K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 158 · 158-162 °C(lit.)
- Boiling point
- 448.6 · 448.6±40.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 16.99 · 16.99±0.50(Predicted)
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 43 reports by companies from 3 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
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
3 records
Compound notes
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