Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Chemical Auxiliary Agent  /  Syntheses Material Intermediates  /  Organic Intermediates
2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid structure
2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid structure

2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid

Iupac Name:ethyl 4-(dimethylamino)benzoate
CAS No.:10287-53-3
Molecular Weight:193.246
1. Names and Identifiers
1.1 Name
2-Chloro-5-[[(phenylmethyl)sulfonyl]amino]benzeneacetic acid
1.2 Synonyms

2-(2-Chloro-5-[[benzylsulfonyl]amino]phenyl)acetic acid Benzeneacetic acid, 2-chloro-5-[[(phenylmethyl)sulfonyl]amino]-

1.3 CAS No.
10287-53-3
1.4 CID
25127
1.5 Molecular Formula
C21H18N6O2 (isomer)
1.6 Inchi
InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
1.7 InChkey
FZUGPQWGEGAKET-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(=O)C1=CC=C(C=C1)N(C)C
1.9 Isomers Smiles
CCOC(=O)C1=CC=C(C=C1)N(C)C
2. Properties
3.1 Melting point
62-65℃
3.1 Refractive index
1.5353 (100 C)
3.1 Vapour pressure
0mmHg at 25°C
3.1 Precise Quality
193.11000
3.1 PSA
29.54000
3.1 logP
1.92930
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:193.246g/mol
  • Molecular Formula:C21H18N6O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:193.110278721
  • Monoisotopic Mass:193.110278721
  • Complexity:184
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.5
  • Heavy Atom Count:14
  • 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. Recommended Suppliers
Global187SuppliersView all >>
  • Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
  • Tel:86-27-86832068
  • Email:cynthia@hanhong-api.com
Ethyl 4-dimethylaminobenzoate CAS 10287-53-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  USD/gram
  • Time: 2022/05/20
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-15176962104
  • Email:Alice@hbzebo.com
High purity Ethyl 4-dimethylaminobenzoate CAS 10287-53-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/05/20
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Ethyl 4-dimethylaminobenzoate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/19
Inquire
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-17798046959
  • Email:grace@hbyingong.com
Big Discount Purity 99% Ethyl 4-Dimethylaminobenzoate CAS 10287-53-3 with Best Quality
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/18
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829052
  • Email:market@royalpharms.com
Ethyl 4-dimethylaminobenzoate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/13
Inquire