Basic information
- CAS
548-80-1- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)cc1.[Na+].[Na+]- InChIKey
AXUUHWJXDWBCSG-UHFFFAOYSA-L- Molecular formula
- C16H9N3Na2O10S2
- Average molar mass
- 513.4 g/mol
- Monoisotopic mass
- 512.9524744
Names & identifiers
- Preferred name
- Chromotrope 2B
- IUPAC
- disodium;4,5-dihydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
- English name
- CHROMOTROPE 2B
- Molecular formula
- C16H12N3NaO10S2
- Molecular weight
- 493.39
Names & synonyms
Chromotrope 2BChromotrope Red 4BKhromotrop 2BNaphtocard Fast Red 3BC.I. Acid Red 176C.I. Acid Red 176 (VAN)C.I. 16575p-Nitrobenzeneazochromotropic acid sodium salt2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-((4-nitrophenyl)azo)-, disodium saltEINECS 208-959-9NSC 45542C.I. Acid Red 176, disodium salt
Show more names
CI 16575CI NO 16575CHROMOTROPEColoring 2BACID RED 176B,ChroMotropeCHROMOTROP 2 BChromogenic 2BC.I.Acid Red 176
PCR 2B81Y8BW5764CR-2BCHROMOTROPE 2B [MI]4,5-DIHYDROXYNAPHTHALENE-3-(4-NITROPHENYLAZO)-2,7-DISULFONIC ACID DISODIUM SALTC.I. MORDANT BLACK 93NSC-45542Disodium 4,5-dihydroxy-3-(p-nitrophenylazo)naphthalene-2,7-disulphonate
Database identifiers
- CAS
548-80-1
Properties
Computed structural properties
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 873
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- storage temp.
- room temp
- solubility
- 10 mg/mL · water: 10 mg/mL
- Colour Index
- 16575 · 16575
- form
- Crystalline Powder
- color
- Dark green to dark purple
- Water Solubility
- 10 mg/mL · water: 10mg/mL
- ε(extinction coefficient)
- 500 at · ≥500 at 509-519nm in water
- Merck
- 14 · 14,2240
- BRN
- 4109733 · 4109733
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- AXUUHWJXDWBCSG-QIKYXUGXSA-L
- SMILES
- [Na+].[Na+].Oc1cc(cc2cc(c(\N=N\c3ccc(cc3)[N+]([O-])=O)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O
- CAS DataBase Reference
- 548 · 548-80-1(CAS DataBase Reference)
- FDA UNII
- 81 Y8BW5764 · 81Y8BW5764
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:2): ACTIVE
Applications
UsesChromotrope 2B is a chromotropic acid azo dye and a groundwater pollutant removed from the environment via photoelectrochemical mineralization.
UsesAs a dye; as a reagent for boric acid or borates.
Preparation methods
Preparation4-Nitrobenzenamine diazo, and 4,5-Dihydroxynaphthalene-2,7-disulfonic acidcoupling.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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