Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 2   > 2-Benzothiazolamine,4-chloro-7-methoxy-(9CI)
17966-67-5 structure

2-Benzothiazolamine,4-chloro-7-methoxy-(9CI)

Iupac Name:2-benzamido-4-methylpentanoic acid
CAS No.:17966-67-5
Molecular Weight:235.283
Molecular Formula:C16H15BRFNO4 (isomer)
Names and Identifiers
Synonyms

2-benzothiazolamine, 4-chloro-7-methoxy- 2-benzothiazolamine, 4-chloro-7-methoxy- (9ci) 2-benzothiazolamine,4-chloro-7-methoxy- 4-chloro-7-methoxy-1,3-benzothiazol-2-amine 4-chloro-7-methoxybenzo[d]thiazol-2-amine AK456781 AKOS010900224 CTK1H7200 DTXSID70663303 HE201884 SCHEMBL10721828

Inchi
InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)
InChkey
POLGZPYHEPOBFG-UHFFFAOYSA-N
Canonical Smiles
CC(C)CC(C(=O)O)NC(=O)C1=CC=CC=C1
Properties
Melting Point
141-142°C
Vapour
3.26E-09mmHg at 25°C
Refractive Index
1.533
Flash Point
134.7°C
Safety and Handling
Safety Statements
22-24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:235.283g/mol
  • Molecular Formula:C16H15BRFNO4
  • Compound Is Canonicalized:True
  • Exact Mass:235.121
  • Monoisotopic Mass:235.121
  • Complexity:270
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.4A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADSjBmAQyCILAAgCI AiHSGACCAAAkAAAIiIGIBMgKIDKAlTGEYQhklgCYiYeYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:2035740075
  • Fax:+203-574-3181
  • Tel:+86-(512)-55117610
  • Fax:+86-(512)-55117630
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:2035740075
  • Fax:+203-574-3181
  • Tel:+86-(512)-55117610
  • Fax:+86-(512)-55117630
 
<