2406 i.s.

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Names

[ CAS No. ]:
628-87-5

[ Name ]:
2406 i.s.

[Synonym ]:
EINECS 211-058-3
Acetonitrile, 2,2'-iminobis-
MFCD00001887
2406 i.s.
Iminodiacetonitrile
2-(cyanomethylamino)acetonitrile
2,2'-Iminodiacetonitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
337.5±17.0 °C at 760 mmHg

[ Melting Point ]:
69-71 °C(lit.)

[ Molecular Formula ]:
C4H5N3

[ Molecular Weight ]:
95.103

[ Flash Point ]:
157.9±20.9 °C

[ Exact Mass ]:
95.048347

[ PSA ]:
59.61000

[ LogP ]:
-1.08

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.445

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM0650000
CHEMICAL NAME :
Acetonitrile, iminodi-
CAS REGISTRY NUMBER :
628-87-5
BEILSTEIN REFERENCE NO. :
0773803
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H5-N3
MOLECULAR WEIGHT :
95.12
WISWESSER LINE NOTATION :
NC1M1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
710 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536765
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,753,1962
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536765

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S37/39-S36/37

[ WGK Germany ]:
3

[ RTECS ]:
AM0650000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • HYDROGEN CYANIDE
  • Aminoform
  • Methylenaminoacetonitrile
  • Aminoacetonitrile
  • 2-aminopentanedinitrile
  • Glycolonitrile
  • aziridine-2-carbonitrile
  • Formaldehyde
  • 2-chloroacetonitrile

DownStream

  • 2-[(bis(cyanomethyl)amino)methyl-(cyanomethyl)amino]acetonitrile
  • N-(phosphonomethyl)iminodiacetic acid
  • Dimethyl iminodiacetate hydrochloride
  • 2,2'-Iminodiacetamide
  • 1,2-Ethanediamine
  • Diethylenetriamine
  • Piperazine
  • 2,2',2''-Nitrilotriacetonitrile
  • Iminodiacetic acid
  • Ammonia

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 3-(4-Chlorophenyl)azetidine
  • 4-(3-cyanopropylamino)butanenitrile
  • 4-[3-cyanopropyl(methyl)amino]butanenitrile
  • 2-(2-cyanoethoxy)ethyl-trimethylazanium,iodide
  • 2-bromoethyl-(3-cyanopropyl)-dimethylazanium,bromide
  • 1-(2-hydroxyethyl)-4-phenylpiperidine-4-carbaldehyde