n-hydroxysulfosuccinimide sodium salt

HCID 3520574CAS 106627-54-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CC(S(=O)(=O)[O-])C(=O)N1O.[Na+]
InChIKey: RPENMORRBUTCPR-UHFFFAOYSA-M
Molecular formula: C4H4NNaO6S
Average molar mass: 217.13 g/mol
Monoisotopic mass: 216.96570213

Names & identifiers

Preferred name: n-hydroxysulfosuccinimide sodium salt
IUPAC: sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate
English name: N-Hydroxysulfosuccinimide sodium salt
Molecular formula: C4H6NNaO6S
Molecular weight: 218.14

Names & synonyms

N-Hydroxysulfosuccinimide sodium salt106627-54-7DTXSID00393267RefChem:830148DTXCID90344127680-151-2Sulfo-NHSsodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonateMFCD00043100N-Hydroxysulfosuccinimide (sodium)n-hydroxysulfosuccinimide sodiumsodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate

Show more names

N-HYDROXYSULFOSUCCINIMIDENHSSSNHSN-HYDROXYSULFOSUCCINIMIDE, SODIUM SALTSulfo-HOSuN-HYDROXYSULPHOSUCCINIMIDESulfo-N-hydroxysuccinimide Sodium Salt56485-5G

SCHEMBL303254AKOS015897304CS-W002213N-Hydroxysulfosuccinimide (sodium salt)AS-17664EN300-317011Hydroxy-2,5-dioxopyrrolidine-3-sulfonicacid sodium saltN-Hydroxysulfosuccinimidesodiumsalt

Database identifiers

CAS: 106627-54-7
PubChem CID: 3520574
DTXSID: DTXSID00393267
EC Number: 680-151-2
Nikkaji: J364.552E

Properties

Computed structural properties

Topological polar surface area: 123 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 331

Physicochemical properties

Melting point: 250 °C · 250 °C (dec.)(lit.)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Methanol, Water (Slightly)
form: Powder
color: White
Water Solubility: Soluble in methanol and water.
BRN: 6359129 · 6359129
Major Application: peptide synthesis
InChI: InChI=1S/C4H5NO6S.Na.H/c6-3-1-2(12(9,10)11)4(7)5(3)8;;/h2,8H,1H2,(H,9,10,11);;
InChIKey: ZNUUAMSMZNYKLZ-UHFFFAOYSA-N
SMILES: S(C1CC(=O)N(O)C1=O)(O)(=O)=O.[NaH]
CAS DataBase Reference: 106627 · 106627-54-7(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501A
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
F: 10 · 10-21
TSCA: Yes
HS Code: 29280000 · 29280000

Safety & regulation

GHS classification

GHS Classification · 4 items

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 6 reports by companies from 5 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: 10-21
wgk: 3
tsca: Yes
hs_code: 29280000
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280-P305+P351+P338-P304+P340-P405-P501A

Chemistry & industry

Applications · 4 items

DescriptionSulfo-NHS is used during the modificaiton of carboxylic groups to NHS ester groups. This can be used for crosslinking, labeling and other biological techniques.

UsesN-Hydroxysulfosuccinimide Sodium Salt is a hydrophilic ligand for the preparation of active esters, which can be used for crosslinking agents.

Usestrifunctional amine and sulfhydryl reactive cross-linking reagent

UsesSulfo-NHS is used for preparing hydrophilic active esters, e.g. for crosslinking agents.