2,2'-((4-(2-(2,4-Dinitrophenyl)diazenyl)phenyl)imino)bis(ethanol)
Basic information
- CAS
60129-67-1- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)cc2)c([N+](=O)[O-])c1- InChIKey
SHWMLKYICHRJFM-UHFFFAOYSA-N- Molecular formula
- C16H17N5O6
- Average molar mass
- 375.34 g/mol
- Monoisotopic mass
- 375.11788328
Names & identifiers
- Preferred name
- 2,2'-((4-(2-(2,4-Dinitrophenyl)diazenyl)phenyl)imino)bis(ethanol)
- IUPAC
- 2-[4-[(2,4-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
- English name
- 2,2'-[[4-[(2,4-dinitrophenyl)azo]phenyl]imino]bisethanol
- Molecular formula
- C16H17N5O6
- Molecular weight
- 375.34
Names & synonyms
60129-67-12,2'-((4-(2-(2,4-Dinitrophenyl)diazenyl)phenyl)imino)bis(ethanol)2,2'-[[4-[2-(2,4-Dinitrophenyl)diazenyl]phenyl]imino]bis[ethanol]RefChem:2419922,2'-[[4-[(2,4-DINITROPHENYL)AZO]PHENYL]IMINO]BISETHANOL2,2'-((4-((2,4-Dinitrophenyl)azo)phenyl)imino)bisethanolCCRIS 7413EINECS 262-071-62-[4-[(2,4-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanolSCHEMBL887525SHWMLKYICHRJFM-UHFFFAOYSA-NDTXSID601032078
Show more names
2,4-Dinitro-4'-[bis(2-hydroxyethyl)amino]azobenzene4-[Bis(2-hydroxyethyl)amino]-2',4'-dinitroazobenzeneEthanol, 2,2'-[[4-[2-(2,4-dinitrophenyl)diazenyl]phenyl]imino]bis-
AKOS024434554DB-312952NS000560432,2'-[[4-[(2,4-Dinitrophenyl)azo]phenyl ]imino]bisethanol2,2a(2)-[[4-[(2,4-Dinitrophenyl)azo]phenyl]imino]bisethanol4'-(BIS(2-HYDROXYETHYL)AMINO)-2,4-DINITROAZOBENZENE2,2'-((4-((2,4-DINITROPHENYL)AZO)PHENYL)IMINO)BIS(ETHANOL)
Database identifiers
- CAS
60129-67-1- PubChem CID
- 94592
- DTXSID
DTXSID601032078- EC Number
- 262-071-6
- Nikkaji
- J298.784H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Experimental & physicochemical properties
LogP1.79
Physicochemical properties
- Boiling point
- 504.14 °C · 504.14°C (rough estimate)
- Density
- 1.2635 · 1.2635 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- Water Solubility
- 2.252 mg/L · 2.252mg/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335-H317
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335-H317
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…