Adiponitrile
Suppliers
Names
[ CAS No. ]:
111-69-3
[ Name ]:
Adiponitrile
[Synonym ]:
1,4-Dicyanobutane
Tetramethylene Dicyanide
Adiponitrile
MFCD00001975
EINECS 203-896-3
Adipic acid dinitrile
Adipinonitril
Hexanedinitrile
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
296.1±13.0 °C at 760 mmHg
[ Melting Point ]:
1-3 °C(lit.)
[ Molecular Formula ]:
C6H8N2
[ Molecular Weight ]:
108.141
[ Flash Point ]:
149.0±13.7 °C
[ Exact Mass ]:
108.068748
[ PSA ]:
47.58000
[ LogP ]:
-0.32
[ Vapour density ]:
3.7 (vs air)
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.432
[ Water Solubility ]:
90 g/L (20 ºC)
[ Freezing Point ]:
1℃
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AV2625000
- CHEMICAL NAME :
- Adiponitrile
- CAS REGISTRY NUMBER :
- 111-69-3
- BEILSTEIN REFERENCE NO. :
- 1740005
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 20
- MOLECULAR FORMULA :
- C6-H8-N2
- MOLECULAR WEIGHT :
- 108.16
- WISWESSER LINE NOTATION :
- NC4CN
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 :
- 155 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(12),40,1984
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1710 mg/m3/4H
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Ear) - change in acuity Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 1,76,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 172 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 57,88,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 22 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(12),40,1984
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MELAAD Medicina del Lavoro. Industrial Medicine. (Via S. Barnaba, 8, 20122 Milan, Italy) V.16- 1925- Volume(issue)/page/year: 46,221,1955 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 493 mg/m3/6H/4W-I
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- REFERENCE :
- JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 30,199,1990
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 99 mg/m3/6H/13W-I
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells Blood - changes in other cell count (unspecified) Blood - changes in erythrocyte (RBC) count
- REFERENCE :
- JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 30,199,1990
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3028 ug/m3/5H/26W-I
- TOXIC EFFECTS :
- Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(9),64,1981 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1120 mg/kg
- SEX/DURATION :
- female 6-19 day(s) after conception
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 7,33,1986 *** REVIEWS *** ACGIH TLV-TWA 8.8 mg/m3 (2 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ADIPONITRILE-air:10H TWA 4 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4253 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 478 (estimated) No. of Female Employees: 41 (estimated)
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301-H332
[ Precautionary Statements ]:
Missing Phrase - N15.00950417-P261
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic
[ Risk Phrases ]:
R23/25;R36/38
[ Safety Phrases ]:
S26-S36-S45-S39
[ RIDADR ]:
UN 2205 6.1/PG 3
[ WGK Germany ]:
1
[ RTECS ]:
AV2625000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2926909020
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909020
[ Summary ]:
2926909020 adiponitrile。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0%
Articles
Biochem. J. 415 , 401-7, (2008)
Nitrilase from Rhodococcus rhodochrous ATCC 33278 hydrolyses both aliphatic and aromatic nitriles. Replacing Tyr-142 in the wild-type enzyme with the aromatic amino acid phenylalanine did not alter sp...
Anal. Chim. Acta 599(1) , 24-35, (2007)
Multivariate calibration problems often involve the identification of a meaningful subset of variables, from a vast number of variables for better prediction of output variables. A new graph theoretic...
Fundam. Appl. Toxicol. 7(1) , 33-40, (1986)
Acetonitrile (ACN), adiponitrile (ADN), and propionitrile (PN), were evaluated for embryotoxic and teratogenic potential in rats. Mated Sprague-Dawley rats were administered one of the three nitriles ...