4-Aminobenzonitrile
Names
[ CAS No. ]:
873-74-5
[ Name ]:
4-Aminobenzonitrile
[Synonym ]:
Benzonitrile,4-amino
1-Amino-4-cyanobenzene
Aniline,p-cyano
4-amino-benzonitrile
Benzonitrile,p-amino
4-Cyanoaniline
4-cyanophenylamine
p-Cyanoaniline
MFCD00007821
Benzonitrile, 4-amino-
p-aminobenzonitrile
EINECS 212-850-1
4-Aminobenzonitrile
p-cyanophenyl amine
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
286.5±23.0 °C at 760 mmHg
[ Melting Point ]:
83-85 °C(lit.)
[ Molecular Formula ]:
C7H6N2
[ Molecular Weight ]:
118.136
[ Flash Point ]:
127.1±22.6 °C
[ Exact Mass ]:
118.053101
[ PSA ]:
49.81000
[ LogP ]:
1.07
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.590
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- BX2320000
- CHEMICAL NAME :
- Aniline, p-cyano-
- CAS REGISTRY NUMBER :
- 873-74-5
- BEILSTEIN REFERENCE NO. :
- 0774507
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C7-H6-N2
- MOLECULAR WEIGHT :
- 118.15
- WISWESSER LINE NOTATION :
- ZR DCN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555306 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 283 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555306
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 168 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555306
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 155 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,900,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - quail
- DOSE/DURATION :
- 23700 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - wild bird species
- DOSE/DURATION :
- 23700 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 86 mg/kg/10D-C
- TOXIC EFFECTS :
- Endocrine - changes in spleen weight Blood - changes in spleen Blood - changes in erythrocyte (RBC) count
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555306
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301-H319
[ Precautionary Statements ]:
P301 + P310-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
S26-S36
[ RIDADR ]:
UN 2811 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
BX2320000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
29269095
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
Phys. Chem. Chem. Phys. 14(39) , 13676-83, (2012)
The vibrational frequencies of the C=O + C=C band of diphenylcyclopropenone and the NH(2) stretching band of p-aminobenzonitrile were determined in various room temperature ionic liquids (RTILs). The ...
Capillary zone electrophoresis and micellar electrokinetic chromatography of 4-aminobenzonitrile carbohydrate derivatives.Electrophoresis 15(7) , 941-52, (1994)
Aldoses, ketoses and uronic acids were derivatized successfully within 15 min at a temperature of 90 degrees C by reductive amination with 4-aminobenzonitrile. Subsequently, the derivatives were separ...
Design and synthesis of an array of selective androgen receptor modulators.J. Comb. Chem. 9 , 107-114, (2007)
We describe the design, using shape comparison and fast docking computer algorithms, and rapid parallel synthesis of a 1300 member array based on GSK7721, a 4-aminobenzonitrile androgen receptor (AR) ...