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Home> Hot Product Listed P   > Phosphonic acid,bis(2,3-dichloropropyl) ester (8CI,9CI)
108-46-3 structure

Phosphonic acid,bis(2,3-dichloropropyl) ester (8CI,9CI)

Iupac Name:benzene-1,3-diol
CAS No.:108-46-3
Molecular Weight:110.112
Molecular Formula:C14H24NO4P (isomer)
Names and Identifiers
Synonyms

1-Propanol,2,3-dichloro-, phosphonate (2:1) bis(2,3-dichloropropoxy)(oxo)-??-phosphanylium bis(2,3-dichloropropoxy)(oxo)phosphanium DTXSID60422668 NSC 524662 nsc524662 nsc-524662 SCHEMBL4405165

Inchi
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChkey
GHMLBKRAJCXXBS-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)O)O
Properties
Density
1.194
Melting Point
109-111℃
Vapour
0.00229mmHg at 25°C
Refractive Index
1.612
Flash Point
198.9°C
Safety and Handling
Risk Statements
R22;R36/38;R50
Safety Statements
S26;S61
HazardClass
6.1
PackingGroup
III
Transport
UN 2876
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Atul Europe Limited 2013
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2016
DOW BENELUX B.V. OR-10 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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.

P391 Collect spillage.

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:110.112g/mol
  • Molecular Formula:C14H24NO4P
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.8
  • Exact Mass:110.037
  • Monoisotopic Mass:110.037
  • Complexity:64.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:8
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAACASAkAAwBoAAAgCA ACBCAAACAAAgIAAIiAAGCIgIJyKCERKAcAAlwBUImAeAYAQAAAAACAAAAAAAAAAQAAAAAAAAAAAA AA==
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