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Home> Encyclopedia >   /  Organic Fertilizer  /  Others  /  Benzene & Derivatives  /  Pharmaceutical Intermediates  /  Other Chemicals
5-[[1-(R,S)-{2’,6’-bis(O-benzyl)}-1-hydroxymethyl]-3-[2-(t-butyldimethylsilyloxy)ethyl]-4,6-bis(O-methoxymethyl)-2,3-dihydrobenzofuran-2-yloxy]triisopropylsilane structure
5-[[1-(R,S)-{2’,6’-bis(O-benzyl)}-1-hydroxymethyl]-3-[2-(t-butyldimethylsilyloxy)ethyl]-4,6-bis(O-methoxymethyl)-2,3-dihydrobenzofuran-2-yloxy]triisopropylsilane structure

5-[[1-(R,S)-{2’,6’-bis(O-benzyl)}-1-hydroxymethyl]-3-[2-(t-butyldimethylsilyloxy)ethyl]-4,6-bis(O-methoxymethyl)-2,3-dihydrobenzofuran-2-yloxy]triisopropylsilane

CAS No.:1330-20-7
Molecular Weight:106.165
1. Names and Identifiers
1.1 Name
5-[[1-(R,S)-{2’,6’-bis(O-benzyl)}-1-hydroxymethyl]-3-[2-(t-butyldimethylsilyloxy)ethyl]-4,6-bis(O-methoxymethyl)-2,3-dihydrobenzofuran-2-yloxy]triisopropylsilane
1.2 CAS No.
1330-20-7
1.3 Molecular Formula
C35H66N2O11 (isomer)
1.4 Inchi
InChI=1/4C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3*3-6H,1-2H3;3-7H,2H2,1H3
1.5 InChkey
IVSZLXZYQVIEFR-UHFFFAOYSA-N
1.6 Canonical Smiles
CC1C(C)=CC=CC=1
2. 3D Conformer
3. Properties
3.1 Melting Point
-34℃
3.2 Vapour
1.71E-11mmHg at 25°C
3.3 Refractive Index
1.494-1.498
4. Safety and Handling
4.1 Risk Statements
R10;R20/21;R36/38
4.2 Safety Statements
S25
4.3 HazardClass
3
4.3 PackingGroup
II
4.4 Transport
UN 1307
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H312 Harmful in contact with skin

H315 Causes skin irritation

H332 Harmful if inhaled

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.

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.

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.

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

Storage

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:106.165g/mol
  • Molecular Formula:C35H66N2O11
  • XLogP3-AA:3.2
  • Exact Mass:106.07825
  • Monoisotopic Mass:106.07825
  • Complexity:58.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • 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
8. Question & Answer
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