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2,2,2-Trifluoroethyl 1-methylhydrazinecarboxylate structure
2,2,2-Trifluoroethyl 1-methylhydrazinecarboxylate structure

2,2,2-Trifluoroethyl 1-methylhydrazinecarboxylate

Iupac Name:methyl 2-aminobenzoate
CAS No.:134-20-3
Molecular Weight:151.165
1. Names and Identifiers
1.1 Name
2,2,2-Trifluoroethyl 1-methylhydrazinecarboxylate
1.2 Synonyms

Hydrazinecarboxylic acid, 1-methyl-, 2,2,2-trifluoroethyl ester

1.3 CAS No.
134-20-3
1.4 CID
8635
1.5 Molecular Formula
C19H16Cl4O6 (isomer)
1.6 Inchi
InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
1.7 InChkey
VAMXMNNIEUEQDV-UHFFFAOYSA-N
1.8 Canonical Smiles
COC(=O)C1=CC=CC=C1N
1.9 Isomers Smiles
COC(=O)C1=CC=CC=C1N
2. Properties
3.1 Melting point
24℃
3.1 Refractive index
1.581-1.584
3.1 Vapour pressure
0.0158mmHg at 25°C
3.1 Precise Quality
151.06300
3.1 PSA
52.32000
3.1 logP
1.63660
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 Hazard Declaration
H315-H319-H335
4.1 RIDADR
100kg
4.1 Caution Statement
P261-P305 + P351 + P338
4.1 WGK Germany
1
4.1 RTECS
CB3325000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:151.165g/mol
  • Molecular Formula:C19H16Cl4O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:151.063328530
  • Monoisotopic Mass:151.063328530
  • Complexity:147
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3
  • Heavy Atom Count:11
  • 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. Question & Answer
  • Because of the hazards posed by the UV lamp, this is not a good gift for a child. Also, look up the wavelength spectrum for absorbtion of UV by methyl anthranilate and make sure the spectrum overlaps the spectrum for emission by the lamp. If they don’t overlap, i.e. the light emitted by the lamp i...
  • When methyl anthranilate is added to sulfuric acid a white precipitate forms. I am assuming this is an insoluble salt produced in the acid base reaction, where the lone pair on the nitrogen will accept a proton. My question is, does sulfuric acid lose both protons in the reaction, so that there are...
  • Methyl anthranilate, also known as MA, methyl 2-aminobenzoate, or carbomethoxyaniline, is an ester of anthranilic acid manufactured through chemical synthesis, available as clear to pale yellow liquid (graph 1). Its chemical formula is C8H9NO2. It has a fruity grape smell, and one of its key uses i...
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