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MOLPORT-007-334-989 structure
MOLPORT-007-334-989 structure

MOLPORT-007-334-989

Iupac Name:sodium;nitrite
CAS No.: 7632-00-0
Molecular Weight:68.995
Modify Date.: 2022-04-17 01:28
1. Names and Identifiers
1.1 Name
MOLPORT-007-334-989
1.2 Synonyms

2-(2,2-difluoro-benzo[1,3]dioxol-5-ylamino)-n-(2,4-difluoro-phenyl)-propionamide 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-n-(2,4-difluorophenyl)propanamide 2-[(2,2-difluoro-2h-1,3-benzodioxol-5-yl)amino]-n-(2,4-difluorophenyl)propanamide HE064283 MCULE-1845760815 T6282739 Z126053816

1.3 CAS No.
7632-00-0
1.4 CID
23668193
1.5 Molecular Formula
C20H30N2O4 (isomer)
1.6 Inchi
InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
1.7 InChkey
LPXPTNMVRIOKMN-UHFFFAOYSA-M
1.8 Canonical Smiles
N(=O)[O-].[Na+]
1.9 Isomers Smiles
N(=O)[O-].[Na+]
2. Properties
3.1 Melting point
271℃
3.1 Precise Quality
68.98270
3.1 PSA
52.49000
3.1 logP
0.25060
3. Safety and Handling
4.1 Symbol
GHS03;GHS06;GHS09;
4.1 Signal Word
DANGER
4.1 Risk Statements
R25;R50;R8
4.1 Safety Statements
S45;S61
4.1 Packing Group
III
4.1 Hazard Class
5.1
4.1 Hazard Declaration
H272; H301; H319; H400
4.1 RIDADR
UN 3219
4.1 Caution Statement
P220-P273-P301 + P310-P305 + P351 + P338
4.1 WGK Germany
3
4.1 RTECS
RA1225000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Oxidizing solids, Category 3

Acute toxicity - Oral, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H272 May intensify fire; oxidizer

H301 Toxic if swallowed

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P220 Keep away from clothing and other combustible materials.

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

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 68.995g/mol
  • Molecular Formula: C20H30N2O4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 68.98267252
  • Monoisotopic Mass: 68.98267252
  • Complexity: 13.5
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 52.5
  • Heavy Atom Count: 4
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADcQACMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
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8. Realated Product Infomation