4-Nitrophenylacetonitrile

Modify Date: 2025-08-21 18:13:39

4-Nitrophenylacetonitrile Structure
4-Nitrophenylacetonitrile structure
 Common Name 4-Nitrophenylacetonitrile
CAS Number 555-21-5 Molecular Weight 162.145
Density 1.3±0.1 g/cm3 Boiling Point 336.3±17.0 °C at 760 mmHg
Molecular Formula C8H6N2O2 Melting Point 113-115 °C(lit.)
MSDS Chinese USA Flash Point 157.2±20.9 °C

 Names

Name 4-Nitrophenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 336.3±17.0 °C at 760 mmHg
Melting Point 113-115 °C(lit.)
Molecular Formula C8H6N2O2
Molecular Weight 162.145
Flash Point 157.2±20.9 °C
Exact Mass 162.042923
PSA 69.61000
LogP 1.18
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.577
Water Solubility INSOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1250000
CHEMICAL NAME :
Acetonitrile, (p-nitrophenyl)-
CAS REGISTRY NUMBER :
555-21-5
BEILSTEIN REFERENCE NO. :
0388442
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H6-N2-O2
MOLECULAR WEIGHT :
162.16
WISWESSER LINE NOTATION :
WNR D1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
47 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02093

 Safety Information

Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S14-S22-S36/37
RIDADR 3439
WGK Germany 3
RTECS AM1250000
Packaging Group III
Hazard Class 6.1
HS Code 29269095

 Synthetic Route

 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%

 Articles1

More Articles
445. The kinetics of some fast reactions of 4-nitrobenzyl cyanide in solution at –77°. Caldin EF and Harbron E.

J. Chem. Soc. , 2314-2319, (1962)

 Synonyms

EINECS 209-085-0
(p-nitrophenyl)acetonitrile
Benzeneacetonitrile, 4-nitro-
MFCD00007372
p-Nitrophenylacetonitrile
4-Nitrophenylacetonitrile
(4-Nitrophenyl)acetonitrile
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