CAS 873-74-5|4-Aminobenzonitrile

Introduction:Basic information about CAS 873-74-5|4-Aminobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-Aminobenzonitrile
CAS Number873-74-5Molecular Weight118.136
Density1.1±0.1 g/cm3Boiling Point286.5±23.0 °C at 760 mmHg
Molecular FormulaC7H6N2Melting Point83-85 °C(lit.)
MSDSChineseUSAFlash Point127.1±22.6 °C
Symbol
GHS06
Signal WordDanger

Names

Name4-Aminobenzonitrile
SynonymMore Synonyms

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point286.5±23.0 °C at 760 mmHg
Melting Point83-85 °C(lit.)
Molecular FormulaC7H6N2
Molecular Weight118.136
Flash Point127.1±22.6 °C
Exact Mass118.053101
PSA49.81000
LogP1.07
Vapour Pressure0.0±0.6 mmHg at 25°C
Index of Refraction1.590
InChIKeyYBAZINRZQSAIAY-UHFFFAOYSA-N
SMILESN#Cc1ccc(N)cc1

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 WordDanger
Hazard StatementsH301-H319
Precautionary StatementsP301 + P310-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn:Harmful
Risk PhrasesR22
Safety PhrasesS26-S36
RIDADRUN 2811 6.1/PG 3
WGK Germany3
RTECSBX2320000
Packaging GroupIII
Hazard Class6.1
HS Code29269095

Customs

HS Code2926909090
SummaryHS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Synonyms

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
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