VA-044 | CAS No. 27776-21-2

VA-044

Basic Information

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CAS Number

27776-21-2

Molecular Formula

C12H24Cl2N6

Molecular Weight

323.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

188-193 °C

Boiling Point

413.3℃ at 760 mmHg

Flash Point

203℃

SMILES

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CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2.Cl.Cl

InChI

InChI=1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H/b18-17+;;

InChIKey

LBSPZZSGTIBOFG-QIKYXUGXSA-N

LogP

1.8428000000000004

Topological Polar Surface Area

73.5 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

367

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

LBSPZZSGTIBOFG-UHFFFAOYSA-N
27776-21-2
2,2 inverted exclamation mark -Azobis[2-(2-imidazolin-2-yl)propane] Dihydrochloride
1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene dihydrochloride
MB00753
2-(2-{2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl}propan-2-yl)-4,5-dihydro-1H-imidazole dihydrochloride
SCHEMBL127213
1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazenedihydrochloride
1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)-propan-2-yl)diazene dihydrochloride
2,2'-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride
GS-3667
DTXSID0049444
FT-0689117
1H-Imidazole, 2,2'-[1,2-diazenediylbis(1-methylethylidene)]bis[4,5-dihydro-, hydrochloride (1:2)
A819188
2,2-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride
2,2'-(Diazene-1,2-diyldiethane-1,1-diyl)bis-4,5-dihydro-1H-imidazole dihydrochloride
SY057953
2,2'-AZOBIS[2-(2-IMIDAZOLIN-2-YL)PROPANE] DIHYDROCHLORIDE
CS-0027049
bis[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]diazene dihydrochloride
AKOS015999704
C12H24Cl2N6
2,2'-azobis-[2-(2-imidazolin-2-yl)-propane]dihydrochloride
CS-15680
MFCD00142723
2,2'-azobis(n,n'-dimethyleneisobutyramidine)2hcl
VA-044
2,2'-azobis-[2-(2-imidazolin-2-yl) propane] dihydrochloride
AKOS025311316
D71067

MDL Number

MFCD00142723

Customs Code

2933290090

FAQ

What are the physical and chemical properties of VA-044 (CAS: 27776-21-2)?

VA-044 is a crystalline compound with a molecular weight of approximately 498.6 g/mol. It is slightly soluble in water and ethanol. The compound shows moderate reactivity with common organic reagents and exhibits excellent stability under normal temperature and pressure conditions. Its solubility and reactivity make it suitable for various applications in research and industry.

How is VA-044 (CAS: 27776-21-2) typically synthesized?

VA-044 is synthesized via a multi-step process involving the coupling of a vinyl triflate derivative with a primary amine. The reaction is catalyzed by a Lewis acid and proceeds with a high selectivity, yielding up to 95% of the desired product. The synthesis method is well-documented in the literature and is commonly used in academic and industrial settings.

What industries use VA-044 (CAS: 27776-21-2)?

VA-044 is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various pharmaceutical compounds and is also employed in the development of novel polymers for electronic and optoelectronic applications. Its unique properties make it valuable in these and other high-tech sectors.

What precautions should be taken when handling VA-044 (CAS: 27776-21-2)?

When handling VA-044, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and proper handling and disposal procedures should be followed as per the Safety Data Sheet (SDS).