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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Antipyretic Analgesics and NSAIDs  /  Laboratory Chemicals  /  Organic Intermediate
Benzenesulfonamide,4-[(1,2-dihydro-2-oxooxazolo[5,4-d]pyrimidin-5-yl)amino]- structure
Benzenesulfonamide,4-[(1,2-dihydro-2-oxooxazolo[5,4-d]pyrimidin-5-yl)amino]- structure

Benzenesulfonamide,4-[(1,2-dihydro-2-oxooxazolo[5,4-d]pyrimidin-5-yl)amino]-

Iupac Name:N-(4-hydroxyphenyl)acetamide
CAS No.:103-90-2
Molecular Weight:151.16256
1. Names and Identifiers
1.1 Name
Benzenesulfonamide,4-[(1,2-dihydro-2-oxooxazolo[5,4-d]pyrimidin-5-yl)amino]-
1.2 Synonyms

4-[(1,2-Dihydro-2-oxooxazolo[5,4-d]pyrimidin)-5-ylamino]benzenesulfonamide 77997-18-3 CTK9A4752 DTXSID80228644 EINECS 278-809-5 NS00037967 Oxazolo[5,4-d]pyrimidine,benzenesulfonamide deriv. p-((1,2-Dihydro-2-oxooxazolo(5,4-d)pyrimidin-5-yl)amino)benzenesulphonamide P-[(1,2-dihydro-2-oxooxazolo[5,4-d]pyrimidin-5-yl)amino]benzenesulphonamide

1.3 CAS No.
103-90-2
1.4 CID
1983
1.5 Molecular Formula
C15H16 (isomer)
1.6 Inchi
InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
1.7 InChkey
RZVAJINKPMORJF-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=O)NC1=CC=C(C=C1)O
1.9 Isomers Smiles
CC(=O)NC1=CC=C(C=C1)O
2. 3D Conformer
3. Properties
3.1 Density
0.96
3.2 Melting Point
168-172℃
3.3 Vapour
6.29X10-5 mm Hg at 25 deg C
3.4 Refractive Index
1.619
4. Safety and Handling
4.1 Risk Statements
R22;R36/38;R52/53
4.2 Safety Statements
S26;S37/39;S61
4.3 HazardClass
9
4.3 PackingGroup
III
4.4 Transport
25kgs
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1B

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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.

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.

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

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.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:151.16256g/mol
  • Molecular Formula:C15H16
  • XLogP3-AA:0.5
  • Exact Mass:151.063329
  • Monoisotopic Mass:151.063329
  • Complexity:139
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:49.3
  • Heavy Atom Count:11
  • 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
8. Question & Answer
  • Paracetamol is the most widely used over-the-counter and prescription analgesic worldwide.1 It is the first step on the WHO pain ladder and is currently recommended as first-line pharmacological therapy by a variety of international guidelines for a multitude of acute and chronic painful conditions...
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