N-(5-Methyl-2-hexyl)-N'-phenyl-p-phenylenediamine
Basic information
- CAS
3081-01-4- Standard SMILES
CC(C)CCC(C)Nc1ccc(Nc2ccccc2)cc1- InChIKey
UHJVLUYSDYOULM-UHFFFAOYSA-N- Molecular formula
- C19H26N2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.20959884
Names & identifiers
- Preferred name
- N-(5-Methyl-2-hexyl)-N'-phenyl-p-phenylenediamine
- IUPAC
- 4-N-(5-methylhexan-2-yl)-1-N-phenylbenzene-1,4-diamine
- English name
- N-(1,4-dimethylpentyl)-N'-phenylbenzene-1,4-diamine
- Molecular formula
- C19H26N2
- Molecular weight
- 282.42
Names & synonyms
3081-01-4Santoflex 141,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-1,4-Benzenediamine, N1-(1,4-dimethylpentyl)-N4-phenyl-N-(1,4-Dimethylpentyl)-N'-phenylbenzene-1,4-diamineSantoflex 14 antiozonantN-(5-Methyl-2-hexyl)-N'-phenyl-p-phenylenediamineEINECS 221-374-3N-(1,4-Dimethylamyl)-N'-phenyl-p-phenylenediaminep-Phenylenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-7635HJ9532DTXSID5027516
Show more names
Naugard I 3SANTOFLEX14ANTIOZONANTN14DIMETHYLPENTYLNPHENYL14BENZENEDIAMINEN-(1,4-dimethylpentyl)-N'-phenyl-p-phenylenediamine
N-(1,4-Dimethylpentyl)-N'-phenyl-1,4-benzenediamineEC 221-374-3n-1,4-dimethylpentyl-n'-phenyl-p-phenylenediamineN-(1,4-dimethylpentyl)-N'-phenyl-1,4-benzenediamn-phenyl-n'-(1,4-dimethylpentyl)-p-phenylenediamineN-phenyl-N'-(1,4-dimethylpentyl)-1,4-phenylenediamineRefChem:828179DTXCID407516
Database identifiers
- CAS
3081-01-4- PubChem CID
- 92190
- DTXSID
DTXSID5027516- UNII
- 7635HJ9532
- EC Number
- 221-374-3
- Nikkaji
- J217.243G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 415.03 °C · 415.03°C (rough estimate)
- Density
- 0.9517 · 0.9517 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.8676 · 1.8676 (estimate)
- solubility
- 1 · DMSO: Sparingly Soluble: 1-10mg/mLEthanol: Sparingly Soluble: 1-10mg/mL
- pka
- 6.7 · 6.70±0.50(Predicted)
- Water Solubility
- 670 μg/L · 670μg/L at 25℃
- LogP
- 5.17 at · 5.17 at 20℃
- FDA UNII
- 7635 HJ9532 · 7635HJ9532
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl- (3081-01-4)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H410-H317-H360
- Precautionary statements
- 273 · P273-P391-P501-P273-P391-P501-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
Danger
H302 (27.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 136 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-
REACH registered substance: N-(1,4-dimethylpentyl)-N'-phenylbenzene-1,4-diamine (EC: 221-374-3)
1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (27.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Hazard statements
- H400-H410-H317-H360
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, N1-(1,4-dimethylpentyl)-N4-phenyl-: ACTIVE
Applications
Description7-PPD is a substituted p-phenylenediamine (PPD).1 It is toxic to the bacterium V. fisheri (EC50 = 0.8 mg/L). 7-PPD has been found in tire wear particles, crumb rubber, doormats, and laboratory stoppers, fine particulate matter 2.5 (PM2.5) samples collected at the roadside, and in river water and river sediments.2,3,4 It is toxic to rats (LD50 = 2,100 mg/kg).5 Formulations containing 7-PPD have been used as a rubber antiozonants and polymerization inhibitors.WARNING This product is not for human or veterinary use.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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