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Home> Encyclopedia >   /  Inorganic Acids  /  Pharmaceutical Intermediates  /  Others  /  Other Chemicals  /  Organic Intermediate
Carbamic acid,(3-amino-1-methyl-3-thioxopropyl)-, 1,1-dimethylethyl ester, (R)- (9CI) structure
Carbamic acid,(3-amino-1-methyl-3-thioxopropyl)-, 1,1-dimethylethyl ester, (R)- (9CI) structure

Carbamic acid,(3-amino-1-methyl-3-thioxopropyl)-, 1,1-dimethylethyl ester, (R)- (9CI)

Iupac Name:boric acid
CAS No.:10043-35-3
Molecular Weight:61.83302
1. Names and Identifiers
1.1 Name
Carbamic acid,(3-amino-1-methyl-3-thioxopropyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
1.2 Synonyms

(r)-3-[[(1,1-dimethylethoxy)carbonyl]amino]butanethioamide (r)-tert-butyl (4-amino-4-thioxobutan-2-yl)carbamate AK338889 AKOS027337301 FQLWLAQLAPCVFC-ZCFIWIBFSA-N mfcd22574206 VT1013 ZINC39094091

1.3 CAS No.
10043-35-3
1.4 CID
7628
1.5 Molecular Formula
C24H40N7O22P3S (isomer)
1.6 Inchi
InChI=1/BH3O3/c2-1(3)4/h2-4H
1.7 InChkey
KGBXLFKZBHKPEV-UHFFFAOYSA-N
1.8 Canonical Smiles
B(O)(O)O
1.9 Isomers Smiles
B(O)(O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
169℃
3.2 Vapour
1.6X10-6 mm Hg at 25 deg C (2.136X10-4 Pa); log P (in Pa) = 26.83 - 9094/T where T is deg K
3.3 Refractive Index
1.462
4. Safety and Handling
4.1 Risk Statements
R60
4.2 Safety Statements
S45;S53
4.3 PackingGroup
Z01
4.4 Transport
无资料?
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360FD

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

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

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

Response

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

Storage

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:61.83302g/mol
  • Molecular Formula:C24H40N7O22P3S
  • Exact Mass:62.017524
  • Monoisotopic Mass:62.017524
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:60.7
  • Heavy Atom Count:4
  • 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
  • What should be the hybridization of the oxygen atom? A) It should be s p 2 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" s p 2 s p 2 as 1 lone pair must be in the unhybridized orbital for back bonding with boron which has a vacant p-orbital B)It should be s...
  • Orthoboric Acid is an organic active ingredient that contains the naturally occurring element Boron. It has been regularly used in the U.S. since 1948 as a natural pest control method to eliminate cockroaches, fleas, ants, and silverfish. Orthoboric acid in its original form is an odorless and natu...
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