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Zaltoprofen Impurity 3 (Zaltoprofen S-Oxide) structure
Zaltoprofen Impurity 3 (Zaltoprofen S-Oxide) structure

Zaltoprofen Impurity 3 (Zaltoprofen S-Oxide)

Iupac Name:hexylphosphonic acid
CAS No.: 23783-26-8
Molecular Weight:172.03100
Modify Date.: 2022-02-11 12:00
1. Names and Identifiers
1.1 Name
Zaltoprofen Impurity 3 (Zaltoprofen S-Oxide)
1.2 Synonyms

Dibenzo[b,f]thiepin-2-acetic acid, 10,11-dihydro-α-methyl-10-oxo-, 5-oxide

1.3 CAS No.
23783-26-8
1.4 Molecular Formula
C19H21F2N3O3 (isomer)
1.5 Inchi
InChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)
1.6 InChkey
GJWAEWLHSDGBGG-UHFFFAOYSA-N
1.7 Canonical Smiles
OC(=O)CP(=O)(O)OO
1.8 Isomers Smiles
O=C(O)C(O)P(=O)(O)O
2. Properties
3.1 Density
1.33±0.1 g/cm3(Predicted)
3.1 Melting point
108-110ºC
3.1 Vapour pressure
0.000278mmHg at 25°C
3.1 Precise Quality
171.97700
3.1 PSA
67.34000
3.1 logP
1.74440
3.1 pKa
4.11±0.10(Predicted)
3. Safety and Handling
4.1 Risk Statements
R22; R34; R43; R48/22
4.1 Safety Statements
S1/2-S22-S26-S36/37/39-S45
4.1 Packing Group
II
4.1 Hazard Class
8
4.1 RIDADR
UN 3265
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Skin sensitization, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P314 Get medical advice/attention if you feel unwell.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
Zaltoprofen Sulfoxide is a metabolite of Zaltoprofen (Z146000) which is a non-steroidal anti-inflammatory drug. Zaltoprofen inhibits bradykinin-induced pain responses without blocking bradykinin receptors.
7. Realated Product Infomation