1,5-Di-p-tolyl-3-methyl-1,4-pentazadiene
Basic information
- CAS
41798-81-6- Standard SMILES
Cc1ccc(N=NN(C)N=Nc2ccc(C)cc2)cc1- InChIKey
QYJYKVPNNJFJGE-YWNVXTCZSA-N- Molecular formula
- C15H17N5
- Average molar mass
- 267.33 g/mol
- Monoisotopic mass
- 267.14839556
Names & identifiers
- Preferred name
- 1,5-Di-p-tolyl-3-methyl-1,4-pentazadiene
- IUPAC
- N,N-bis[(4-methylphenyl)diazenyl]methanamine
- English name
- 1,5-Di-p-tolyl-3-methyl-1,4-pentazadiene
- Molecular formula
- C15H17N5
- Molecular weight
- 267.33
Names & synonyms
1,5-Di-p-tolyl-3-methyl-1,4-pentazadieneRefChem:417167623-592-841798-81-6N,N-bis[(4-methylphenyl)diazenyl]methanamine(1e,4e)-3-methyl-1,5-bis(4-methylphenyl)pentaaza-1,4-dieneNSC106317SCHEMBL9652831SCHEMBL10411171DTXSID90295928QYJYKVPNNJFJGE-UHFFFAOYSA-NAKOS024319039
Show more names
3-METHYL-1,5-DI-P-TOLYL-1,4-PENTAZADIENE3-Methyl-1,5-di-p-tolyl-1,4-pentazadiene3-METHYL-1,5-DI(4-METHYLPHENYL)PENTAZA-1,4-DIENE3-Methyl-1,5-bis(p-methylphenyl)-1,4-pentazadiene3-Methyl-1,5-Di-p-Tolyl-1,4-Pentazadiene pure, 97%1,4-Pentazadiene, 3-methyl-1,5-bis(4-methylphenyl)-
NSC-1063173-Methyl-1,5-di-p-tolyl-1,4-pentazadiene, 97%
Database identifiers
- CAS
41798-81-6- PubChem CID
- 267191
- DTXSID
DTXSID90295928- EC Number
- 623-592-8
- Nikkaji
- J208.386H
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 138 · 138-142 °C (lit.)
- InChI
- 1S/C15H17N5/c1-12-4-8-14(9-5-12)16-18-20(3)19-17-15-10-6-13(2)7-11-15/h4-11H,1-3H3/b18-16+,19-17+
- InChIKey
- QYJYKVPNNJFJGE-YWNVXTCZSA-N
- SMILES
- CN(\N=N\c1ccc(C)cc1)\N=N\c2ccc(C)cc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
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 (97.5%): 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 40 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 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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