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Home> Encyclopedia >   /  Phosphate  /  Others  /  Inorganic Acids  /  Pharmaceutical Intermediates  /  Organic Intermediates
2-(n-methyl2-chloro-4-methylbenzenesulfonamido)acetamide structure
2-(n-methyl2-chloro-4-methylbenzenesulfonamido)acetamide structure

2-(n-methyl2-chloro-4-methylbenzenesulfonamido)acetamide

Iupac Name:phosphenous acid
CAS No.:6303-21-5
Molecular Weight:63.980501
1. Names and Identifiers
1.1 Name
2-(n-methyl2-chloro-4-methylbenzenesulfonamido)acetamide
1.2 Synonyms

CHEMBL3460661 MCULE-2060241617 MOLPORT-019-654-635 Z414689508 ZINC45744621

1.3 CAS No.
6303-21-5
1.4 Molecular Formula
C21H25F3N2O2S (isomer)
1.5 Inchi
InChI=1S/HO2P/c1-3-2/h(H,1,2)
1.6 InChkey
GQZXNSPRSGFJLY-UHFFFAOYSA-N
1.7 Canonical Smiles
OP=O
1.8 Isomers Smiles
O=[PH2]O
2. Properties
3.1 Melting point
-25 °C
3.1 Refractive index
1.39 (20 C)
3.1 Vapour pressure
<17 mmHg ( 20 °C)
3.1 Precise Quality
63.97140
3.1 PSA
71.44000
3.1 logP
0.18540
3. Safety and Handling
4.1 Risk Statements
34
4.1 Safety Statements
26-36/37/39-45
4.1 Packing Group
II
4.1 Hazard Class
8
4.1 RIDADR
UN 3264 8/PG 3
4.1 WGK Germany
1
4.1 RTECS
SZ6400000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P390 Absorb spillage to prevent material damage.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

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:63.980501g/mol
  • Molecular Formula:C21H25F3N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:63.971
  • Monoisotopic Mass:63.971
  • Complexity:10.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:3
  • 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
6. Question & Answer
  • Does anyone know why the hydrogen atoms bonded with phosphorus in H X 3 P O X 2 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" H X 3 P O X 2 H X 3 P O X 2 are not ionizable? I tried looking in high school level books, but they only describe the process, not ...
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