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Thiophene, 2-(4-methoxyphenyl)-5-nitro- structure
Thiophene, 2-(4-methoxyphenyl)-5-nitro- structure

Thiophene, 2-(4-methoxyphenyl)-5-nitro-

Iupac Name:trimethyl(trimethylsilyl)silane
CAS No.:1450-14-2
Molecular Weight:146.38
1. Names and Identifiers
1.1 Name
Thiophene, 2-(4-methoxyphenyl)-5-nitro-
1.2 Synonyms

200358-03-8 CTK0J9511 DTXSID80451334 Thiophene, 2-(4-methoxyphenyl)-5-nitro-

1.3 CAS No.
1450-14-2
1.4 CID
74057
1.5 Molecular Formula
C15H9BRN2O2 (isomer)
1.6 Inchi
InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3
1.7 InChkey
NEXSMEBSBIABKL-UHFFFAOYSA-N
1.8 Canonical Smiles
C[Si](C)(C)[Si](C)(C)C
1.9 Isomers Smiles
C[Si](C)(C)[Si](C)(C)C
2. 3D Conformer
3. Properties
3.1 Melting Point
15℃
3.2 Vapour
24.5mmHg at 25°C
3.3 Refractive Index
1.4211-1.4231
4. Safety and Handling
4.1 Risk Statements
R11
4.2 Safety Statements
S16;S33;S9
4.3 HazardClass
3
4.3 PackingGroup
II
4.4 Transport
UN 1993
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Eye irritation, Category 2

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

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

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

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

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

P284 [In case of inadequate ventilation] wear respiratory protection.

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

Response

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

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

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.

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

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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

6. Computational chemical data
  • Molecular Weight:146.38g/mol
  • Molecular Formula:C15H9BRN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:146.095
  • Monoisotopic Mass:146.095
  • Complexity:61.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^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: AAADceBgAAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEBAAAABAAAAAAABCAAAAAAEA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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