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Basic Information
CAS No.: 628-87-5
Name: Iminodiacetonitrile
Article Data: 28
Molecular Structure:
Molecular Structure of 628-87-5 (Iminodiacetonitrile)
Formula: C4H5N3
Molecular Weight: 95.1038
Synonyms: Acetonitrile,iminodi- (6CI,7CI,8CI);1,1'-Imidodiacetonitrile;NSC 263496;
EINECS: 211-058-3
Density: 1.054 g/cm3
Melting Point: 69-71 °C(lit.)
Boiling Point: 337.5 °C at 760 mmHg
Flash Point: 157.9 °C
Solubility: Soluble in water, acetone and hot methanol.
Appearance: tan to dark brown crystalline powder, crystals
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-37/39-36/37
PSA: 59.61000
LogP: 0.01406
Synthetic route
4560-87-6

1,3,5-tris(cyanomethyl)hexahydro-1,3,5-triazine

106491-24-1

desaminomethylporphobilinogendinitrile

A

uroporphyrinogenoctanitrile

B

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With Montmorillonite K10 In acetonitrile at 180℃; for 0.5h;A 80%
B n/a
21954-96-1

2,2′-iminobis(acetamide)

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With phosphorus pentoxide under 15.0015 - 37.5038 Torr; for 1h; Temperature; Heating;79%
under 15.0015 - 37.5038 Torr; for 1h; Temperature; Heating;
2478-50-4

2-aminopentanedinitrile

540-61-4

2-aminoacetonitrile

A

959051-09-3

rac-N2-(Cyanmethyl)glutamindinitril

B

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
at 80℃; for 16h; Yields of byproduct given;A 75%
B n/a
74-90-8

hydrogen cyanide

109-82-0

methyleneaminoacetonitrile

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With sulfuric acid In methanol at 60℃; for 3h;52%
With hydrogenchloride
107-16-4

glycolonitrile

540-61-4

2-aminoacetonitrile

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
In ethanol reflux, 2.5 h; -20 deg C, 10 h;30%
With phosphoric acid
33898-53-2

2-cyanoaziridine

A

593-75-9, 685498-28-6

methyl isocyanate

B

59264-17-4

N-(methylimino)acetonitrile

C

75-05-8

acetonitrile

D

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With 3 A molecular sieve at 370℃; under 0.1 Torr; Product distribution; flash vaccum pyrolysis at variation of temp.;A 9.5%
B 10.5%
C 6%
D n/a
With 3 A molecular sieve at 370℃; under 0.1 Torr;A 9.5%
B 10.5%
C 6%
D n/a
33898-53-2

2-cyanoaziridine

A

110-61-2

butanedinitrile

B

19866-98-9

(E/Z)-3-aminoprop-2-enenitrile

C

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With quartz at 630℃; under 0.1 Torr; Product distribution; flash vaccum pyrolysis;A 3%
B 4.8%
C 2%
With quartz at 630℃; under 0.1 Torr;A 3%
B 4.8%
C 2%
50-00-0

formaldehyd

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With ammonia; water beim folgenden Behandeln mit HCN und wss.HCl;
74-90-8

hydrogen cyanide

100-97-0

hexamethylenetetramine

628-87-5

iminodiacetonitrile

100-97-0

hexamethylenetetramine

628-87-5

iminodiacetonitrile

Conditions
ConditionsYield
With hydrogen cyanide
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Chemistry

Chemical Name: Iminodiacetonitrile
IUPAC NAME: 2-(Cyanomethylamino)acetonitrile
CAS No.: 628-87-5
EINECS: 211-058-3
RTECS: AM0650000
RTECS Class: Drug
Molecular Formula: C4H5N3
Molecular Weight: 95.1 g/mol
Melting Point: 69-71 °C(lit.)
Density: 1.054 g/cm3 
Flash Point: 157.9 °C
Boiling Point: 337.5 °C at 760 mmHg
Following is the structure of Iminodiacetonitrile(628-87-5):


Product Categories about Iminodiacetonitrile(628-87-5) are C1 to C5 ; Cyanides/Nitriles ; Nitrogen Compounds
The chemical synonymous of Iminodiacetonitrile(628-87-5) are 1,1’-Imidodiacetonitrile ;  2,2’-Iminobis-acetonitril ; 2,2’-Iminobisacetonitrile ; Acetonitrile, 2,2'-iminobis- ; Di(cianometil)ammina

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 17, Pg. 753, 1962.
rabbit LDLo skin 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0536765,
rat LD50 oral 710mg/kg (710mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0536765,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
Hazard Note: Irritant
Hazard Codes:
Xn: Harmful
Xi: Irritant
Risk Statements about Iminodiacetonitrile(628-87-5):
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements about Iminodiacetonitrile(628-87-5):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves. 
S37/39: Wear suitable gloves and eye/face protection.
Attentions:
1. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2. Handling: Avoid contact with skin and eyes. Avoid ingestion and inhalation. Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas.