Basic information
- CAS
2127-10-8- Standard SMILES
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1- InChIKey
ROUFCTKIILEETD-UHFFFAOYSA-N- Molecular formula
- C10H6N4O4S2
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 309.98304667
Overview
structure
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(5-nitropyridine)
- IUPAC
- 5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine
- English name
- 2,2'-Dithiobis(5-nitropyridine)
- Molecular formula
- C10H6N4O4S2
- Molecular weight
- 310.31
Names & synonyms
2,2'-Dithiobis(5-nitropyridine)2127-10-82,2'-Dithio-bis(5-nitropyridine)DTXSID001755202,2'-Dithiobis[5-nitropyridine]DTBNPRefChem:80728DTXCID40980112,2-DNP218-344-71,2-Bis(5-nitropyridin-2-yl)disulfaneBis(5-nitro-2-pyridyl) disulfide
Show more names
DTNPNSC 677436NSC 1493362,2’-dithiobis(5-nitro-pyridinPyridine,2,2'-dithiobis[5-nitro-2,2'-Bis(5-nitropyridyl) disulfide
5-nitro-2-[(5-nitropyridin-2-yl)disulfanyl]pyridinePyridine, 2,2'-dithiobis[5-nitro-MFCD000064535,5'-Dinitro-2,2'-dipyridyl disulfideNSC6774362,2'-disulfanediylbis(5-nitropyridine)PYRIDINE, 2,2'-DITHIOBIS(5-NITRO-5-nitro-2-[(5-nitro-2-pyridyl)disulfanyl]pyridine
Database identifiers
- CAS
2127-10-8- PubChem CID
- 16474
- DTXSID
DTXSID00175520- ChEMBL
CHEMBL120580
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 155 · 155-157 °C(lit.)
- Boiling point
- 139 °C · 139°C (rough estimate)
- Density
- 1.6508 · 1.6508 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Store at RT.
- pka
- -2.88 · -2.88±0.29(Predicted)
- form
- solid
- color
- Brown
- BRN
- 305413 · 305413
- InChI
- InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H
- InChIKey
- ROUFCTKIILEETD-UHFFFAOYSA-N
- SMILES
- S(C1=NC=C([N+]([O-])=O)C=C1)SC1=NC=C([N+]([O-])=O)C=C1
- CAS DataBase Reference
- 2127 · 2127-10-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 41 reports by companies from 4 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
- rtecs
- UT2964000
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,2′-Dithiobis(5-nitropyridine) was employed:as cysteine-activating reagent to study the NMR of G protein-coupled receptors in the deprotection assays for protected selenocysteine-containing peptidesfor deprotecting p-methoxybenzyl groups and acetamidomethyl groups from the side-chains of cysteine and selenocysteineto remove the p-methoxybenzyl protecting group from cysteine and selenocysteine side-chains
General Description2,2′-Dithiobis(5-nitropyridine) is an aromatic disulphide.
Upstream & downstream products
Downstream products
Suppliers61 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司
Related reactions
3 records
Compound notes
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