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Home> Encyclopedia >   /  Cyanide & Cyanate  /  Pharmaceutical Intermediates  /  Others  /  Other Inorganic Chemicals  /  Organic Intermediate
2-Propenoic acid, isooctyl ester, polymer with 1-ethenyl-2-pyrrolidinone structure
2-Propenoic acid, isooctyl ester, polymer with 1-ethenyl-2-pyrrolidinone structure

2-Propenoic acid, isooctyl ester, polymer with 1-ethenyl-2-pyrrolidinone

Iupac Name:sodium;thiocyanate
CAS No.:540-72-7
Molecular Weight:81.07217
1. Names and Identifiers
1.1 Name
2-Propenoic acid, isooctyl ester, polymer with 1-ethenyl-2-pyrrolidinone
1.2 Synonyms

2-Pyrrolidinone, 1-ethenyl-, polymer with isooctyl 2-propenoate 6-Methylheptyl prop-2-enoate--1-ethenylpyrrolidin-2-one (1/1) DTXSID60991889 isooctyl acrylate n-vinyl-2-pyrrolidone isooctyl acrylate, n-vinylpyrrolidinone polymer Isooctyl acrylate-1-vinyl-2-pyrrolidinone copolymer Isooctyl acrylate-N-vinyl-2-pyrrolidone copolymer Isooctyl acrylate-N-vinylpyrrolidone copolymer LP009241 QFIBBSJRPGQRRS-UHFFFAOYSA-N

1.3 CAS No.
540-72-7
1.4 CID
516871
1.5 Molecular Formula
(C11H20O2.C8H14O2.C8H8.C5H8O3.C4H6O2.C2H6OS)x (isomer)
1.6 Inchi
InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
1.7 InChkey
VGTPCRGMBIAPIM-UHFFFAOYSA-M
1.8 Canonical Smiles
C(#N)[S-].[Na+]
1.9 Isomers Smiles
C(#N)[S-].[Na+]
2. Properties
3.1 Melting point
287℃ (dec.)
3.1 Boiling point
445.4°Cat760mmHg
3.1 Vapour pressure
<1 hPa (20 °C)
3.1 Precise Quality
80.96490
3.1 PSA
49.09000
3.1 logP
0.66498
3. Safety and Handling
4.1 Symbol
GHS07;
4.1 Signal Word
Warning
4.1 Risk Statements
R20/21/22;R32;R52/53
4.1 Safety Statements
S13;S61
4.1 Hazard Declaration
H302 + H312 + H332; H319; H412
4.1 WGK Germany
1
4.1 RTECS
XL2275000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

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)

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled

H318 Causes serious eye damage

H412 Harmful to aquatic life with long lasting effects

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.

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

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/...

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

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

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.

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:81.07217g/mol
  • Molecular Formula:(C11H20O2.C8H14O2.C8H8.C5H8O3.C4H6O2.C2H6OS)x
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:80.96491446
  • Monoisotopic Mass:80.96491446
  • Complexity:34.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:24.8
  • Heavy Atom Count:4
  • 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
6. Question & Answer
  • Sodium thiocyanate(sometimes called sodium sulphocyanide) is an organic sodium salt which is the monosodium salt of thiocyanic acid. Sodium thiocyanate contains a thiocyanate. Sodium thiocyanate is the chemical compound with the formula NaSCN. This colorless deliquescent salt is one of the main sou...
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