2,2'-Iminodiacetonitrile

Basic Information

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CAS Number

628-87-5

Molecular Formula

C4H5N3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

76.0 to 80.0 deg-C

Boiling Point

337.5℃ at 760 mmHg

Density

1.1031 (rough estimate)

Water Solubility

Soluble in water, acetone and hot methanol.

Refractive Index

1.5200 (estimate)

SMILES

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C(C#N)NCC#N

InChI

InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2

InChIKey

BSRDNMMLQYNQQD-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

104

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

InChI=1/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2
SY049317
BCP14805
Acetonitrile, iminodi-
2,2'-iminodiacetonitrile
NSC263496
Acetonitrile, iminodi
CAS-628-87-5
NS00020216
2,2'-Azanediyldiacetonitrile
FT-0627186
NCGC00248280-01
628-87-5
2,2'-Iminobisacetonitrile
Iminodiacetonitrile, tech
EN300-21125
CHEMBL3186090
NSC-263496
MFCD00001887
Di(cianometil)ammina [Italian]
DTXCID1021580
Q23038875
Iminodiacetonitrile
AC9124
NSC 263496
2-(cyanomethylamino)acetonitril
D0434
2-(cyanomethylamino)acetonitrile
RID64Y718A
UNII-RID64Y718A
1,1'-Imidodiacetonitrile

MDL Number

MFCD00001887

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2,2'-Iminodiacetonitrile (CAS: 628-87-5)?

2,2'-Iminodiacetonitrile (CAS: 628-87-5) falls under various regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its hazard classification, REACH regulations for EU-based manufacturers and importers, and FDA/EPA requirements for its use in pharmaceutical and industrial applications. Ensure compliance with local and international regulations for safe handling and disposal.

Are there alternatives to 2,2'-Iminodiacetonitrile (CAS: 628-87-5) in synthesis?

Alternatives to 2,2'-Iminodiacetonitrile (CAS: 628-87-5) include other iminodiacetonitriles and related compounds such as 2,2'-iminodiacetic acid. Commonly used alternatives in synthesis include reagents like ethylenediamine or similar amines, which can serve similar functional group transformations with varying degrees of reactivity and selectivity.

What is the market or research trend for 2,2'-Iminodiacetonitrile (CAS: 628-87-5)?

The market for 2,2'-Iminodiacetonitrile (CAS: 628-87-5) shows growing interest in its applications for pharmaceutical intermediates and polymer synthesis. Research trends are focused on its use in sustainable chemistry and green chemical processes. Market dynamics indicate increasing demand driven by advancements in material science and pharmaceutical industries.

How should waste containing 2,2'-Iminodiacetonitrile (CAS: 628-87-5) be handled?

Waste containing 2,2'-Iminodiacetonitrile (CAS: 628-87-5) should be collected in compatible containers and stored in a well-ventilated area. Proper incineration or professional waste disposal services should be utilized. Implement environmental protection precautions such as using appropriate personal protective equipment (PPE) and following local hazardous waste disposal regulations to ensure safe disposal.