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Pyrimidine, 5-(2-iodoethenyl)-2,4-bis[(trimethylsilyl)oxy]-, (E)- structure
Pyrimidine, 5-(2-iodoethenyl)-2,4-bis[(trimethylsilyl)oxy]-, (E)- structure

Pyrimidine, 5-(2-iodoethenyl)-2,4-bis[(trimethylsilyl)oxy]-, (E)-

Iupac Name:2-chloroaniline
CAS No.:95-51-2
Molecular Weight:127.57154
1. Names and Identifiers
1.1 Name
Pyrimidine, 5-(2-iodoethenyl)-2,4-bis[(trimethylsilyl)oxy]-, (E)-
1.2 CAS No.
95-51-2
1.3 CID
7240
1.4 Molecular Formula
C12H24OSi (isomer)
1.5 Inchi
InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
1.6 InChkey
AKCRQHGQIJBRMN-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC=C(C(=C1)N)Cl
1.8 Isomers Smiles
C1=CC=C(C(=C1)N)Cl
2. Properties
3.1 Melting Point
-3℃
3.2 Vapour
1 mm Hg at 115.3 °F ; 5 mm Hg at 162.1° F; 760 mm Hg at 407.8° F (NTP, 1992)
3.3 Refractive Index
1.587-1.589
3. Safety and Handling
4.1 Risk Statements
R23/24/25;R33;R50/53
4.2 Safety Statements
S28;S36/37;S45;S60;S61
4.3 HazardClass
6.1
4.4 PackingGroup
II
4.5 Transport
UN 2019
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled

H318 Causes serious eye damage

H341 Suspected of causing genetic defects

H373 May cause damage to organs through prolonged or repeated exposure

H410 Very toxic 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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

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

P361+P364 Take off immediately all 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.

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

P311 Call a POISON CENTER/doctor/\u2026

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:127.57154g/mol
  • Molecular Formula:C12H24OSi
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:127.0188769
  • Monoisotopic Mass:127.0188769
  • Complexity:74.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26
  • 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
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