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Home> Hot Product Listed P   > Propanoic acid,3-[2-(dimethylamino)ethoxy]-2-methyl-, 2-(dimethylamino)ethyl ester
2042-37-7 structure

Propanoic acid,3-[2-(dimethylamino)ethoxy]-2-methyl-, 2-(dimethylamino)ethyl ester

Iupac Name:2-bromobenzonitrile
CAS No.:2042-37-7
Molecular Weight:182.01736
Molecular Formula:C7H13N5OS (isomer)
Names and Identifiers
Synonyms

2-(dimethylamino)ethyl 3-(2-(dimethylamino)ethoxy)isobutyrate 2-(dimethylamino)ethyl 3-[2-(dimethylamino)ethoxy]-2-methylpropanoate 2-(dimethylamino)ethyl 3-[2-(dimethylamino)ethoxy]isobutyrate 2-methyl-3-[2-(dimethylamino)ethoxy]propionic acid 2-(dimethylamino)ethyl ester CTK5F6375 einecs 289-206-1 SCHEMBL11319947

Inchi
InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChkey
AFMPMSCZPVNPEM-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C#N)Br
Properties
Melting Point
52-56℃
Boiling Point
427.2°C at 760 mmHg
Vapour
0.0198mmHg at 25°C
Refractive Index
1.606
Flash Point
142.7°C
HS Code
29269095
Safety and Handling
Risk Statements
R20/21/22;R36/37/38
Safety Statements
S26;S36/37/39
HazardClass
6.1
PackingGroup
III
Transport
25kgs
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:182.01736g/mol
  • Molecular Formula:C7H13N5OS
  • XLogP3-AA:2.1
  • Exact Mass:180.952712
  • Monoisotopic Mass:180.952712
  • Complexity:135
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:23.8
  • 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:1
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Recommended Suppliers
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  • Fax:86-571-85829153
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  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
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  • Tel:86-188-74586545
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