Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Syntheses Material Intermediates  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Cosmetic Raw Materials  /  Others
Benzenesulfonamide,4-methyl-N-[4-(methylsulfonyl)phenyl]- structure
Benzenesulfonamide,4-methyl-N-[4-(methylsulfonyl)phenyl]- structure

Benzenesulfonamide,4-methyl-N-[4-(methylsulfonyl)phenyl]-

Iupac Name:2-oxopropanoic acid
CAS No.:127-17-3
Molecular Weight:88.06206
1. Names and Identifiers
1.1 Name
Benzenesulfonamide,4-methyl-N-[4-(methylsulfonyl)phenyl]-
1.2 Synonyms

4888-04-4 4-methyl-n-[4-(methylsulfonyl)phenyl]benzenesulfonamide AC1L5Y0V AC1Q6VV8 AKOS027701184 DTXSID10964129 MCULE-9923027530 N-(4-methanesulfonylphenyl)-4-methylbenzene-1-sulfonamide N-[4-(Methanesulfonyl)phenyl]-4-methylbenzene-1-sulfonamide NSC 86642 nsc86642 p-Toluenesulfonanilide,4'-(methylsulfonyl)- (7CI,8CI) T6184406 Z45582386 ZINC1556291

1.3 CAS No.
127-17-3
1.4 CID
1060
1.5 Molecular Formula
C14H11FO3 (isomer)
1.6 Inchi
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
1.7 InChkey
LCTONWCANYUPML-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=O)C(=O)O
1.9 Isomers Smiles
CC(=O)C(=O)O
2. 3D Conformer
3. Properties
3.1 Density
1.199
3.2 Melting Point
11.8℃
3.3 Vapour
0.968mmHg at 25°C
3.4 Refractive Index
1.426-1.43
3.5 Flash Point
206°C
4. Safety and Handling
4.1 Risk Statements
R34
4.2 Safety Statements
S25;S36/37/39;S45
4.3 HazardClass
8
4.3 PackingGroup
II
4.4 Transport
UN 3265 8/PG 2
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1C

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

Precautionary statement(s)
Prevention

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

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:88.06206g/mol
  • Molecular Formula:C14H11FO3
  • Exact Mass:88.016044
  • Monoisotopic Mass:88.016044
  • Complexity:84
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.4
  • Heavy Atom Count:6
  • 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
  • I have a quick question about pyruvic acid and lactic acid, which I think I know the answer too but I'm unsure. The melting point of lactic acid is said to be higher than that of pyruvic acid despite very similar molecular masses. Is this because lactic acid has 2 O H " style="position: relative;" ...
9. Recommended Suppliers
Global213SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
China Factory Supplier Pyruvic acid CAS 127-17-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/07
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Pyruvic Acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Pyruvic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
  • Email:bobtang@hzclap.com
Pyruvic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/12/26
Inquire
  • Products:Pharmaceutical intermediates Pesticide intermediates Food Additives Custom synthesis
  • Tel:+86-311-85355123
  • Email:alice@zk-chem.com
Pyruvic acid supplier
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/03/02
Inquire