Basic information
- CAS
84041-77-0- Standard SMILES
O=[N+]([O-])c1cc(NCCO)ccc1NCCO- InChIKey
HWQZRURILVPDGN-UHFFFAOYSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.10625597
Names & identifiers
- Preferred name
- N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamine
- IUPAC
- 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
- English name
- Bis-1,4-(2-hydroxyethylamino)-2-nitrobenzene
- Molecular formula
- C10H15N3O4
- Molecular weight
- 241.24
Names & synonyms
84041-77-0N,N'-Bis(2-hydroxyethyl)-2-nitro-p-phenylenediamineHC Violet BSjarocol violet 14dEINECS 281-856-4VELSOL VIOLET BSCOLOREX VBSDTXSID902329393X0E669O5SCOVARIANE POURPRE W 51212,2'-((2-Nitro-1,4-phenylene)diimino)bisethanol2,2'-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]
Show more names
HC Violet BS 99%N,N Bis-2-Nitro-ppd2,2'-[(2-Nitro-1,4-phenylene)d2-Nitro-1,4-dihydroxyethylaminobenzeneBIS(2-HYDROXYETHYLAMINE)-2-NITROBENZENE2,5-BIS[(2-HYDROXYETHYL)AMINO]NITROBENZENEN,N-BIS(2-HYDROXYETHYLAMINO)-2-NITROBENZENEbis-1,4-(2-hydroxyethylamino)-2-nitrobenzene
Ethanol, 2,2'-((2-nitro-1,4-phenylene)diimino)bis-2,2'-[(2-nitro-1,4-phenylene)diimino]bisethanolEthanol, 2,2'-[(2-nitro-1,4-phenylene)diimino]bis-2,2'-((2-Nitro-1,4-phenylene)diimino)bis(ethanol)RefChem:821751DTXCID70155430N,N'-BIS(2-HYDROXYETHYL)-2-NITRO-P-PHENYLENEDIAMINE [INCI]2,2'-((2-Nitro-1,4-phenylene)bis(azanediyl))diethanol
Database identifiers
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Melting point
- 102 · 102-103℃
- Boiling point
- 512.7 · 512.7±50.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 14.61 · 14.61±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- LogP
- 0.656 · 0.656 (est)
- CAS DataBase Reference
- 84041 · 84041-77-0(CAS DataBase Reference)
- FDA UNII
- 3 X0E669O5S · 3X0E669O5S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
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
This chemical does not meet GHS hazard criteria for 41.7% (15 of 36) of reports.
Warning
H315 (11.1%): 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 36 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: Ethanol, 2,2'-[(2-nitro-1,4-phenylene)diimino]bis-
Ethanol, 2,2'-[(2-nitro-1,4-phenylene)diimino]bis-: 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.
Other Safety InformationIMAP assessments - Ethanol, 2,2'-[(2-nitro-1,4-phenylene)diimino]bis-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Upstream & downstream products
Upstream raw materials
Suppliers88 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
无锡市凯立生物科技有限公司0510-80721533 13327925606 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
杭州倍生元生物科技有限公司15068777134 15068777134 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
2 records
Compound notes
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