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Home> Hot Product Listed 1   > [1,1'-Biphenyl]-2,3-diol,2'-fluoro-
2044-56-6 structure

[1,1'-Biphenyl]-2,3-diol,2'-fluoro-

Iupac Name:lithium;dodecyl sulfate
CAS No.:2044-56-6
Molecular Weight:272.328
Molecular Formula:C11H20O6S2 (isomer)
Names and Identifiers
Synonyms

[1,1-biphenyl]-2,3-diol,2-fluoro- 1,1-biphenyl]-2,3-diol,2-fluoro- 1-fluoro-6-phenylcyclohexa-3,5-diene-1,2-diol 2,3-Dihydroxy-2'-fluorobiphenyl KB-146101 OR188415 OR261920

Inchi
InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChkey
YFVGRULMIQXYNE-UHFFFAOYSA-M
Canonical Smiles
[Li+].CCCCCCCCCCCCOS(=O)(=O)[O-]
Properties
Density
1.254 g/mL at 25 °C
Boiling Point
272.1°C at 760 mmHg
HS Code
29209010
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-45-43-36/37/39-16-7/8-3/7/9
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF Personal Care and Nutrition GmbH 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 1

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H302+H332 Harmful if swallowed or if inhaled

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P370+P378 In case of fire: Use ... to extinguish.

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:272.328g/mol
  • Molecular Formula:C11H20O6S2
  • Compound Is Canonicalized:True
  • Exact Mass:272.163
  • Monoisotopic Mass:272.163
  • Complexity:249
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.8A^2
  • Heavy Atom Count:18
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcehwOABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAAAA AAAAADAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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