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Home> Hot Product Listed 1   > 1H-Stannole
109-52-4 structure

1H-Stannole

Iupac Name:pentanoic acid
CAS No.:109-52-4
Molecular Weight:102.13200
Molecular Formula:C2H9NSI2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChkey
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Canonical Smiles
CCCCC(=O)O
Properties
Melting Point
−20-−18°C(lit.)
Vapour
0.452mmHg at 25°C
Refractive Index
n20/D 1.408(lit.)
HS Code
2915600000
Safety and Handling
Risk Statements
R34; R52/53
Safety Statements
S26-S36-S45-S61
HazardClass
8
PackingGroup
III
Transport
UN 3265 8/PG 3
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2014
DOW BENELUX B.V. - OR1 2012
OXEA Produktion GmbH & Co. KG 2011
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

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)

H314 Causes severe skin burns and eye damage

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

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:102.13200g/mol
  • Molecular Formula:C2H9NSI2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:102.068
  • Monoisotopic Mass:102.068
  • Complexity:59.1
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:7
  • 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: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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