Basic information
- CAS
58528-60-2- Standard SMILES
Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl- InChIKey
VJCRGIYTUNCUJU-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N4O4
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.0705105
Names & identifiers
- Preferred name
- Ethanol, 2,2'-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-
- IUPAC
- 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
- English name
- 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethanol
- Molecular formula
- C17H18Cl2N4O4
- Molecular weight
- 413.26
Names & synonyms
58528-60-2Ethanol, 2,2'-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-Ethanol, 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-RefChem:3406752,2'-((4-((2,6-Dichloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bisethanolEINECS 261-309-6VJCRGIYTUNCUJU-UHFFFAOYSA-NDTXSID201031947AKOS024434559DB-302063NS000532992,2'-[[4-[(2,6-Dichloro-4-nitrophenyl)azo]-3-methylphenyl ]imino]bisethanol
Show more names
2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethanol2,2'-[[3-Methyl-4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bisethanolEthanol, 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis- (9CI)
4'-(BIS(2-HYDROXYETHYL)AMINO)-2,6-DICHLORO-2'-METHYL-4-NITROAZOBENZENE
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Experimental & physicochemical properties
LogP4.12
Physicochemical properties
- Boiling point
- 633.2 · 633.2±55.0 °C(Predicted)
- Density
- 1.6301 · 1.6301 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- pka
- 14.25 · 14.25±0.10(Predicted)
- Water Solubility
- 454.6 ug/L · 454.6ug/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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