4-Nitrophenylacetonitrile
Names
[ CAS No. ]:
555-21-5
[ Name ]:
4-Nitrophenylacetonitrile
[Synonym ]:
EINECS 209-085-0
(p-nitrophenyl)acetonitrile
Benzeneacetonitrile, 4-nitro-
MFCD00007372
p-Nitrophenylacetonitrile
4-Nitrophenylacetonitrile
(4-Nitrophenyl)acetonitrile
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
MSDS
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
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
J. Chem. Soc. , 2314-2319, (1962)