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Home> Encyclopedia >   /  Other Inorganic Chemicals  /  Others  /  Other Inorganic Salts  /  Organic Intermediate  /  Carbonate
Carbamic acid, (6-fluoro-1-methyl-1H-indazol-4-yl)-, 1,1-dimethylethyl ester structure
Carbamic acid, (6-fluoro-1-methyl-1H-indazol-4-yl)-, 1,1-dimethylethyl ester structure

Carbamic acid, (6-fluoro-1-methyl-1H-indazol-4-yl)-, 1,1-dimethylethyl ester

CAS No.:75-20-7
Molecular Weight:64.0994
1. Names and Identifiers
1.1 Name
Carbamic acid, (6-fluoro-1-methyl-1H-indazol-4-yl)-, 1,1-dimethylethyl ester
1.2 Synonyms

tert-Butyl (6-fluoro-1-methyl-1H-indazol-4-yl)carbamate

1.3 CAS No.
75-20-7
1.4 CID
6352
1.5 Molecular Formula
C15H15F3N4 (isomer)
1.6 Inchi
InChI=1S/C2.Ca/c1-2;/q-2;+2
1.7 InChkey
UIXRSLJINYRGFQ-UHFFFAOYSA-N
1.8 Canonical Smiles
[C-]#[C-].[Ca+2]
1.9 Isomers Smiles
[C-]#[C-].[Ca+2]
2. Properties
3.1 Melting point
447℃
3.1 Precise Quality
63.96260
3.1 PSA
0.00000
3.1 logP
0.16260
3. Safety and Handling
4.1 Symbol
GHS02, GHS05, GHS07
4.1 Signal Word
Danger
4.1 Risk Statements
R15
4.1 Safety Statements
S43;S8
4.1 Packing Group
II
4.1 Hazard Class
4.3
4.1 Hazard Declaration
H260-H315-H318-H335
4.1 RIDADR
UN 1402
4.1 Caution Statement
P223-P231 + P232-P261-P280-P370 + P378-P422
4.1 WGK Germany
1
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Substances and mixtures, which in contact with water, emit flammable gases, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H260 In contact with water releases flammable gases which may ignite spontaneously

Precautionary statement(s)
Prevention

P223 Do not allow contact with water.

P231+P232 Handle and store contents under inert gas/.... Protect from moisture.

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

Response

P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages].

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

Storage

P402+P404 Store in a dry place. Store in a closed container.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:64.0994g/mol
  • Molecular Formula:C15H15F3N4
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:63.9625908
  • Monoisotopic Mass:63.9625908
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0
  • Heavy Atom Count:3
  • 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:2
6. Question & Answer
  • Here is the reaction: CaC₂(s) + 2H₂O(l) → Ca(OH)₂(s) + C₂H₂(g) This industrial reaction nowadays has been superseded by other methods, so that the use of calcium carbide has been steadily dropping during the last twenty years. When it is used to produce acetylene, however, it is mixed with sand be...
  • I have an old lantern that runs on calcium carbide and water. The acetylene gas produced is ignited by a match and produces a weak, sooty flame. When I was young, my dad used to fire up the lantern. I still recall the unique smell produced and my fascination with producing a fuel from water. It was...
  • It is the original method of ripening fruits that were plucked green, These were mangos and banana. Calcium carbide was once very common in villages for lamp light. I guess someone accidentally found out that calcium carbide triggers ripening. However, the fruits don’t taste right. The skin of the...
  • A pretty genuine doubt, even I had this doubt when I first saw this formula. The answer lies in the fact that carbon can form bond with other carbon atoms, I guess you can guess the answer now In calcium carbide the carbide ion is an acetylide ion (C2)- in which two carbon atoms are joined by a tri...
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