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TAL 2 structure
TAL 2 structure

TAL 2

Iupac Name:2-(4-chlorophenoxy)acetic acid
CAS No.:122-88-3
Molecular Weight:186.591
1. Names and Identifiers
1.1 Name
TAL 2
1.2 Synonyms

Oxirane, 2-methyl-, polymer with oxirane, mono(hydrogen sulfate), sodium salt Polypropylene glycol, ethoxylated, monosulfate ester, sodium salt

1.3 CAS No.
122-88-3
1.4 CID
26229
1.5 Inchi
InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
1.6 InChkey
SODPIMGUZLOIPE-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC(=CC=C1OCC(=O)O)Cl
1.8 Isomers Smiles
C1=CC(=CC=C1OCC(=O)O)Cl
2. Properties
3.1 Melting point
157-159℃
3.1 Boiling point
442.5°C at 760 mmHg
3.1 Refractive index
1.5250 (estimate)
3.1 Vapour pressure
0.000188mmHg at 25°C
3.1 Precise Quality
186.00800
3.1 PSA
46.53000
3.1 logP
1.80340
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R22
4.1 Safety Statements
22
4.1 Packing Group
Z01
4.1 Hazard Class
IRRITANT
4.1 Hazard Declaration
H302
4.1 RIDADR
25kgs
4.1 WGK Germany
1
4.1 RTECS
AG0175000
4. 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

5. Computational chemical data
  • Molecular Weight:186.591g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:186.0083718
  • Monoisotopic Mass:186.0083718
  • Complexity:152
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5
  • Heavy Atom Count:12
  • 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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