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Iminodiacetonitrile

Iminodiacetonitrile structure

CAS No:
628-87-5
Formula:
C4H5N3
Chemical Name:
Iminodiacetonitrile
Synonyms:
Acetonitrile,2,2′-iminobis-;Acetonitrile,iminodi-;2,2′-Iminobis[acetonitrile];Iminodiacetonitrile;1,1′-Imidodiacetonitrile;Imidodiacetonitrile;NSC 263496;2,2′-Azanediyldiacetonitrile;(Cyanomethyl-amino)-acetonitrile;2-(Cyanomethylamino)acetonitrile;2-[(Cyanomethyl)amino]acetonitrile
Categories:
Agrochemicals > Pesticide Intermediates

Description

tan to dark brown crystalline powder, crystals

Iminodiacetonitrile is a secondary amino compound that is ammonia in which two of the hydrogens are substituted by cyanomethyl groups. It is a dinitrile, a secondary amino compound and an aliphatic nitrile. It derives from an acetonitrile.

Iminodiacetonitrile Basic Attributes

Molecular Weight：

95.105

Exact Mass：

95.10

EC Number：

211-058-3

UNII：

RID64Y718A

NSC Number：

263496

DSSTox ID：

DTXSID3041580

HScode：

2926909090

Characteristics

PSA：

59.6

XLogP3：

-1.08

Density：

1.1±0.1 g/cm3

Melting Point：

77 °C @ Solvent: Diethyl ether, Benzene

Boiling Point：

337.5±17.0 °C at 760 mmHg

Flash Point：

157.9±20.9 °C

Refractive Index：

1.445

Water Solubility：

Soluble in water, acetone and hot methanol.

Vapor Pressure：

0.00 mmHg

Safety Information

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S26-S37/39-S36/37

RTECS Number：

AM0650000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 99 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Iminodiacetonitrile Use and Manufacturing

Uses

Chemical intermediate

Manufacturing Info：

Acetonitrile, 2,2'-iminobis-: ACTIVE

Computed Properties

Molecular Weight:95.10
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:95.048347172
Monoisotopic Mass:95.048347172
Topological Polar Surface Area:59.6
Heavy Atom Count:7
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Iminodiacetonitrile

CAS No.: 628-87-5

Grade: Industrial Grade

Content: 98%

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