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6066-82-6 structure

N-Hydroxysuccinimide

Iupac Name:1-hydroxypyrrolidine-2,5-dione
CAS No.:6066-82-6
EINECS(EC#): 228-001-3
Molecular Weight:115.088
Molecular Formula:C4H5NO3 (isomer)
1. Names and Identifiers
1.1 Synonyms

066h826 101160-EP2302382A2 101160-EP2302383A2 1-hydroxy-2,5-pyrrolidinedione 1-hydroxypyrrolidin-2,5-dion 1-hydroxy-pyrrolidine-2,5-dione 1-hydroxypyrrolidine-2,5-dione 1-hydroxysuccinimide 2, 1-hydroxy- 2,5-dioxo-1-hydroxypyrrolidine 2,5-pyrrolidinedione, 1-hydroxy- 84769-EP2298769A1 84769-EP2305808A1 AB0006985 AB00437 AC-10509 AC-15786 AC1L2YWJ AC1Q6FQO AJ-26185 AK-94009 AN-21170 ANW-33550 B0249 BC209532 BP-13159 ccris 2604 CHEMBL403753 CJ-23559 CS-W008598 CTK2F4353 DTXSID7064102 EBD9470 einecs 228-001-3 F0001-1588 HE009159 HE360592 h-hydroxy succinimide hosu hosu(n-hydroxysuccinimide) hosu. hydroxy-pyrrolidine-2,5-dione Hydroxysuccinimide I05-0122 KS-00000C7J KSC354G5H LS00022 LS-168769 M-6090 MCULE-5478278340 mfcd00005516 MJE3791M4T MOLPORT-000-883-702 NCIOPEN2_000470 n-hosu NHS n-hy dr oxy succinimide N-Hydroxy Succinimide n-hydroxy-2,5-pyrrolidinedione n-hydroxyl succinimide n-hydroxylsuccinimide n-hydroxysuccinimde n-hydroxysuccinimid n-hydroxy-succinimide n-hydroxysuccinimide (hosu) n-hydroxysuccinimide(hosu) n-hydroxysuccinimide, 98% n-hydroxysuccinimide, hosu n-hydroxysuccinimide, nhs n-hydroxysuccinimide, purum, >=97.0% (t) n-hydroxysucinimide n-hyroxysuccinimide NQTADLQHYWFPDB-UHFFFAOYSA-N nsc 74335 nsc74335 nsc-74335 PS-4557 RP05959 RTR-037256 SC-11266 SCHEMBL1123 ST2408789 ST51052659 STR01867 Succinimide, N-hydroxy- succinimide, n-hydroxy- (8ci) TL8003846 TR-037256 unii-mje3791m4t Z56933833 ZINC1446435

1.2 Inchi
InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2
1.3 InChkey
NQTADLQHYWFPDB-UHFFFAOYSA-N
1.4 Canonical Smiles
C1CC(=O)N(C1=O)O
2. 3D Conformer
3. Properties
3.1 Appearance
white to pale yellow
3.2 Density
1.649
3.3 Melting Point
93-95℃
3.4 Boiling Point
262.4 °C at 760 mmHg
3.5 Refractive Index
1.599
3.6 Flash Point
112.5 °C
3.7 Solubility
Soluble in water
3.8 Stability
Stable. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, strong bases. Protect from moisture.
3.8 Stability
3.9 HS Code
29251995
3.10 Storage temp
2-8°C
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S24/25
4.4 Safety

Safety information of N-Hydroxysuccinimide (CAS NO.6066-82-6) :
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-26-36
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29251995?

4.5 Sensitive
Hygroscopic
4.6 Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:115.088g/mol
  • Molecular Formula:C4H5NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.4
  • Exact Mass:115.027
  • Monoisotopic Mass:115.027
  • Complexity:126
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.6A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAECAAACACBgAAAAAIQAAAI AAEQEAAAAAAAAAAgAAEAAAAAABAAgAAEAAAABCCAAAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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