Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others  /  Organic Intermediates  /  Organic Intermediate
Acetamide, 2,2,2-trifluoro-N-(4-fluorophenyl)-, sodium salt structure
Acetamide, 2,2,2-trifluoro-N-(4-fluorophenyl)-, sodium salt structure

Acetamide, 2,2,2-trifluoro-N-(4-fluorophenyl)-, sodium salt

Iupac Name:2-chloroaniline;hydrochloride
CAS No.:137-04-2
Molecular Weight:164.029
1. Names and Identifiers
1.1 Name
Acetamide, 2,2,2-trifluoro-N-(4-fluorophenyl)-, sodium salt
1.2 CAS No.
137-04-2
1.3 CID
67298
1.4 Molecular Formula
C18H12CL3F6NO2 (isomer)
1.5 Inchi
InChI=1S/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H
1.6 InChkey
DRGIDRZFKRLQTE-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC=C(C(=C1)N)Cl.Cl
1.8 Isomers Smiles
C1=CC=C(C(=C1)N)Cl.Cl
2. 3D Conformer
3. Properties
3.1 Melting Point
220℃
3.2 Vapour
0.209mmHg at 25°C
3.3 Refractive Index
1.6000 (estimate)
4. Safety and Handling
4.1 Risk Statements
R23/24/25;R33;R50/53
4.2 Safety Statements
S28;S36/37;S45;S60;S61
4.3 HazardClass
6.1
4.4 PackingGroup
III
4.5 Transport
2811
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

H373 May cause damage to organs through prolonged or repeated exposure

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:164.029g/mol
  • Molecular Formula:C18H12CL3F6NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:162.9955546
  • Monoisotopic Mass:162.9955546
  • Complexity:74.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26
  • Heavy Atom Count:9
  • 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:2
7. Similar Structures Products
8. Recommended Suppliers
Global17SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
2-Chloroaniline hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
  • Tel:0086-531-58773055
Benzenamine, 2-chloro-,hydrochloride (1:1)
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
2-Chloroaniline hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/22
Inquire
  • Tel:+86-571-86050390 87153572
Benzenamine, 2-chloro-,hydrochloride (1:1)
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/22
Inquire
  • Tel:0086-21-50563169
Benzenamine, 2-chloro-,hydrochloride (1:1)
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/24
Inquire