Basic information
- CAS
52551-67-4- Standard SMILES
O=[N+]([O-])c1ccc(N(CCO)CCO)c(O)c1- InChIKey
ULLVPKLPBOZYMK-UHFFFAOYSA-N- Molecular formula
- C10H14N2O5
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.09027155
Names & identifiers
- Preferred name
- 2-(Bis(2-hydroxyethyl)amino)-5-nitrophenol
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]-5-nitrophenol
- English name
- 2-[bis(2-hydroxyethyl)amino]-5-nitrophenol
- Molecular formula
- C10H14N2O5
- Molecular weight
- 242.23
Names & synonyms
2-[Bis(2-hydroxyethyl)amino]-5-nitrophenol52551-67-42-(Bis(2-hydroxyethyl)amino)-5-nitrophenolPhenol, 2-(bis(2-hydroxyethyl)amino)-5-nitro-YY8A051A3X2,2'-((2-Hydroxy-4-nitrophenyl)imino)bis(ethanol)DTXSID2068765Phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-RefChem:1061482DTXCID7041209258-002-4HC Yellow 4 (incorrect usage)
Show more names
Ncgc00091524-012-(BIS-(2-HYDROXYETHYL)AMINO)-5-NITROPHENYLPhenol, 2-bis(2-hydroxyethyl)amino-5-nitro-
HC Yellow No. 4 (incorrect usage)HSDB 4336EINECS 258-002-4UNII-YY8A051A3XHC Yellow #4 (incorrect usage)SCHEMBL110420DB-346637NS00013733
Database identifiers
- CAS
52551-67-4- PubChem CID
- 40411
- DTXSID
DTXSID2068765- UNII
- YY8A051A3X
- EC Number
- 258-002-4
- Nikkaji
- J295.694B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Boiling point
- 385.05 °C · 385.05°C (rough estimate)
- Density
- 1.3129 · 1.3129 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- FDA UNII
- 8 A051A3X · YY8A051A3X
- EPA Substance Registry System
- 2 · 2-[Bis(2-hydroxyethyl)amino]-5-nitrophenol (52551-67-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- Hazardous Substances Data
- 52551 · 52551-67-4(Hazardous Substances Data)
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 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-
Phenol, 2-bis(2-hydroxyethyl)amino-5-nitro-: 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.
Special ReportsDHHS/NTP; Toxicology & Carcinogenesis Studies of 4-Vinyl-1-cyclohexene diepoxide in F344/N Rats and B6C3F1 Mice (Dermal Studies) Technical Report Series No. 362 (1989) NIH Publication No 90-2817
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Ongoing Test Status
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=59820-43-8]
Chemistry & industry
Uses & manufacturing
UsesDYE IN SEMI-PERMANENT HAIR DYE FORMULATIONS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1976) PROBABLY LESS THAN 2.3X10+6 GRAMS
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumption PatternsESSENTIALLY 100% AS HAIR DYE INGREDIENT
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-: INACTIVE
Applications
Uses2-[Bis(2-hydroxyethyl)amino]-5-nitrophenol can be a useful analyte in models for predicting chemical toxicity.
Suppliers2 total
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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