3,3'-(1,3-Butadiyne-1,4-diyl)dianiline

Basic Information

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CAS Number

31661-59-3

Molecular Formula

C16H12N2

Molecular Weight

107.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

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C1=CC(=CC(=C1)N)C#CC#CC2=CC(=CC=C2)N

InChI

InChI=1S/C16H12N2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h3-4,7-12H,17-18H2

InChIKey

FMZHYPYMCCZVCA-UHFFFAOYSA-N

LogP

1.57722

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

360

Synonyms & References

English

3-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]aniline
Y2S01006
CS-0110798
3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline
SCHEMBL2266577
3,3 inverted exclamation mark -(1,3-Butadiyne-1,4-diyl)dianiline
AKOS027384370
MFCD06200769
AMY11213
InChI=1/C16H12N2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h3-4,7-12H,17-18H2
SY273917
Benzenamine,3,3'-(1,3-butadiyne-1,4-diyl)bis-
FMZHYPYMCCZVCA-UHFFFAOYSA-
3,3'-diaminodiphenyldiacetylene
31661-59-3
3-[4-(3-aminophenyl)buta-1,3-diynyl]aniline
BS-51329
E76667
DTXSID20568995
1,4-BIS(3-AMINOPHENYL)BUTADIYNE
1,4-bis(3-aminophenyl)-1,3-butadiyne
1,4-bis(m-aminophenyl)buta-1,3-diyne
3-(4-(3-aminophenyl)buta-1,3-diynyl)benzeneamine
3,3'-(buta-1,3-diyne-1,4-diyl)dibenzenamine
3-[4-(3-aminophenyl)-1,3-butadiynyl]phenylamine
Aniline,3,3'-butadiynylenedi-(8CI)
Benzenamine,3,3'-(1,3-butadiyne-1,4-diyl)bis
C16H12N2
FMZHYPYMCCZVCA-UHFFFAOYSA
h3-4,7-12H,17-18H2

MDL Number

MFCD06200769

Customs Code

2921590090

FAQ

What are the physical and chemical properties of 3,3'-(1,3-Butadiyne-1,4-diyl)dianiline (CAS: 31661-59-3)?

3,3'-(1,3-Butadiyne-1,4-diyl)dianiline is a crystalline compound with a molecular weight of approximately 254.23 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMF and DMSO. The compound is known for its high reactivity, especially towards electrophilic aromatic substitution reactions and condensation reactions.

How is 3,3'-(1,3-Butadiyne-1,4-diyl)dianiline (CAS: 31661-59-3) typically synthesized?

3,3'-(1,3-Butadiyne-1,4-diyl)dianiline is synthesized by the condensation of two equivalents of aniline with 1,3-butadiyne in the presence of a base like sodium hydride. The reaction proceeds under mild conditions and yields a high purity product with good selectivity and a yield of around 75-80%.

What industries use 3,3'-(1,3-Butadiyne-1,4-diyl)dianiline (CAS: 31661-59-3)?

3,3'-(1,3-Butadiyne-1,4-diyl)dianiline is primarily used in the development of organic semiconductors and sensors. It also finds applications in the pharmaceutical industry as a precursor for the synthesis of dye-based drug delivery systems. Additionally, it is used in the preparation of polymers with unique electronic and optical properties.

What precautions should be taken when handling 3,3'-(1,3-Butadiyne-1,4-diyl)dianiline (CAS: 31661-59-3)?

Proper personal protective equipment (PPE) should be worn when handling 3,3'-(1,3-Butadiyne-1,4-diyl)dianiline. This includes gloves, safety glasses, and a lab coat. Work should be performed in a well-ventilated area or a fume hood. In case of spillage, immediately clean up the spill using appropriate absorbent materials and dispose of the waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.