Sodium 2,4-dinitrobenzenesulfonate
Basic information
- CAS
885-62-1- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)[O-])c([N+](=O)[O-])c1.[Na+]- InChIKey
GSBYVRKLPCSLNV-UHFFFAOYSA-M- Molecular formula
- C6H3N2NaO7S
- Average molar mass
- 270.15 g/mol
- Monoisotopic mass
- 269.95586589
Overview
Sodium 2,4-dinitrobenzenesulfonate is the organic sodium salt of 2,4-dinitrobenzenesulfonic acid. It contains a 2,4-dinitrobenzenesulfonate.
Names & identifiers
- Preferred name
- Sodium 2,4-dinitrobenzenesulfonate
- IUPAC
- sodium 2,4-dinitrobenzenesulfonate
- English name
- 2,4-Dinitrobenzenesulfonic acid sodium salt
- Molecular formula
- C6H5N2NaO7S
- Molecular weight
- 272.16
Names & synonyms
Sodium 2,4-dinitrobenzenesulfonate2,4-Dinitrobenzenesulfonic acid sodium saltDNBSO3NaBenzenesulfonic acid, 2,4-dinitro-, sodium saltSodium 2,4-dinitrobenzenesulphonateWPT7E329JWCCRIS 3133EINECS 212-943-7NSC 10377UNII-WPT7E329JWBenzenesulfonic acid, 2,4-dinitro-, sodium salt (1:1)AI3-09049
Show more names
LABOTEST-BB LT00454501sodium 2,4-dinitrobenzenesulfonic acidSodiuM 2,4-dinitrobenzenesulfonate 98%SodiuM 2,4-Dinitrobenzenesulfonate 2,4-dinitro-benzenesulfonicacisodiumsalt2,4-DINITROBENZOSULFONIC ACID SODIUM SALTSodium 2,4-Dinitrobenzenesulfonate Hydrate2,4-Dintrobenzenesulfonic acid sodium salt
DTXSID8061262CHEBI:53350NSC-10377RefChem:183565DTXCID0048638885-62-12,4-Dintrobenzenesulfonicacidsodiumsaltsodium;2,4-dinitrobenzenesulfonate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 350 °C · >350 °C(lit.)
- vapor density
- 9.3 · 9.3 (vs air)
- solubility
- 1 · DMSO: Sparingly Soluble: 1-10 mg/mlPBS (pH 7.2): Sparingly Soluble: 1-10 mg/ml
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- Soluble in water and methanol.
- Sensitive
- Hygroscopic
- BRN
- 6676807 · 6676807
- CAS DataBase Reference
- 885 · 885-62-1(CAS DataBase Reference)
- FDA UNII
- 7 E329JW · WPT7E329JW
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,4-dinitro-, sodium salt (885-62-1)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 228 · H228-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 43 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
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 2904.99.4700
- risk_code
- 36/37/38-42/43-33-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,T
- safety_code
- 26-45-36/37/39-22
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H228-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P210-P240-P241-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,4-dinitro-, sodium salt (1:1): INACTIVE
Applications
Uses2,4-Dinitrobenzenesulfonic acid sodium salt is used in the synthesis of aromatic dimethylene spacer-inserted cyclodextrin derivatives.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: The organic sodium salt of 2,4-dinitrobenzenesulfonic acid.
Suppliers
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Related reactions
1 records
Compound notes
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