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Home> Encyclopedia >   /  Nitrogen Fertilizer  /  Others  /  Other Inorganic Chemicals  /  Pharmaceutical Intermediates  /  Organic Intermediate
2-Butenoic acid,4-hydroxy-2-(hydroxymethyl)- ,(3aR,4R,6aS,9aR,9bS)-2,3,3a,4,6a,7,9a,9boctahydro- 6a-hydroperoxy-6,9-dimethyl-3- methylene-2-oxoazuleno[4,5-b]furan-4-yl ester,(2E)- structure
2-Butenoic acid,4-hydroxy-2-(hydroxymethyl)- ,(3aR,4R,6aS,9aR,9bS)-2,3,3a,4,6a,7,9a,9boctahydro- 6a-hydroperoxy-6,9-dimethyl-3- methylene-2-oxoazuleno[4,5-b]furan-4-yl ester,(2E)- structure

2-Butenoic acid,4-hydroxy-2-(hydroxymethyl)- ,(3aR,4R,6aS,9aR,9bS)-2,3,3a,4,6a,7,9a,9boctahydro- 6a-hydroperoxy-6,9-dimethyl-3- methylene-2-oxoazuleno[4,5-b]furan-4-yl ester,(2E)-

Iupac Name:azane
CAS No.:7664-41-7
Molecular Weight:17.03052
1. Names and Identifiers
1.1 Name
2-Butenoic acid,4-hydroxy-2-(hydroxymethyl)- ,(3aR,4R,6aS,9aR,9bS)-2,3,3a,4,6a,7,9a,9boctahydro- 6a-hydroperoxy-6,9-dimethyl-3- methylene-2-oxoazuleno[4,5-b]furan-4-yl ester,(2E)-
1.2 CAS No.
7664-41-7
1.3 CID
222
1.4 Molecular Formula
C18H14O3 (isomer)
1.5 Inchi
InChI=1S/H3N/h1H3
1.6 InChkey
QGZKDVFQNNGYKY-UHFFFAOYSA-N
1.7 Canonical Smiles
N
1.8 Isomers Smiles
N
2. Properties
3.1 Density
1.14
3.1 Melting point
-78℃
3.1 Refractive index
1.355
3.1 Vapour pressure
8.75 atm ( 21 °C)
3.1 Precise Quality
17.02650
3.1 PSA
3.24000
3.1 logP
0.32390
3. Safety and Handling
4.1 Symbol
GHS02;GHS07;GHS08;
4.1 Signal Word
DANGER
4.1 Risk Statements
R10;R11;R23/24/25;R36/37/38;R39/23/24/25
4.1 Safety Statements
S9;S16;S26;S36/37/39;S45;S7
4.1 Packing Group
II
4.1 Hazard Class
3
4.1 Hazard Declaration
H221; H280; H314; H331; H410
4.1 RIDADR
UN 1005/2073
4.1 Caution Statement
P210; P261; P273; P281; P305 + P351 + P338
4.1 WGK Germany
2
4.1 RTECS
BO0875000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Gases under pressure: Compressed gas

Flammable gases, Category 2

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H221 Flammable gas

H314 Causes severe skin burns and eye damage

H331 Toxic if inhaled

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

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

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.

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

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

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.

P311 Call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

P410+P403 Protect from sunlight. Store in a well-ventilated place.

P403 Store in a well-ventilated place.

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:17.03052g/mol
  • Molecular Formula:C18H14O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:17.026549100
  • Monoisotopic Mass:17.026549100
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:1
  • Heavy Atom Count:1
  • 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
6. Question & Answer
  • According to Bronsted -Lowery concept,an acid can donates a proton and a base can accept a proton. When water mixed with ammonia it can donates a proton which accept the ammonia. As a result, water acts as an acid. H2O => H+ + OH- NH3 + H+ => NH4^+ NH4^+ + OH- => NH4OH
  • Ammonia belongs to Base category, because when it is dissolved in water it gives ammonium hydroxide which is a base.
  • Why is ammonia added to water? There is only one possible reason: to prepare an aqueous ammonia solution. What you do with that aqueous ammonia solution … well, that’s pretty much up to you. Why did you prepare it? Because you needed an aqueous weak base? Because aqueous ammonia is a reactant in ...
  • This difference is down to something called Hydrogen Bonds , water is not a symmetrical molecule and it has a slight electrostatic polarity, in liquid water this slight polarity means that water molecules like to stick to each other a little more than the more electrically neutral and more symmetri...
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