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Phosphonic acid, (2-methylphenyl)- structure
Phosphonic acid, (2-methylphenyl)- structure

Phosphonic acid, (2-methylphenyl)-

CAS No.:1309-64-4
Molecular Weight:291.5182
1. Names and Identifiers
1.1 Name
Phosphonic acid, (2-methylphenyl)-
1.2 Synonyms

2-Methylphenylphosphonic acid o-Tolylphosphonic acid

1.3 CAS No.
1309-64-4
1.4 Molecular Formula
C5H11NO3 (isomer)
1.5 Inchi
InChI=1/3O.2Sb/q3*-2;2*+3
1.6 InChkey
ADCOVFLJGNWWNZ-UHFFFAOYSA-N
2. 3D Conformer
3. Properties
3.1 Density
1.24
3.2 Melting Point
656℃ (subl.)
3.3 Boiling Point
503.4°C at 760 mmHg
4. Safety and Handling
4.1 Risk Statements
R40
4.2 Safety Statements
S22;S36/37
4.3 HazardClass
6.1
4.4 Hazard Note
H351
4.5 PackingGroup
III
4.6 Transport
UN 9201
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:291.5182g/mol
  • Molecular Formula:C5H11NO3
  • Exact Mass:291.792778
  • Monoisotopic Mass:289.79238
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:3
  • Heavy Atom Count:5
  • 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:5
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