4-Nitrobenzonitrile

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Names

[ CAS No. ]:
619-72-7

[ Name ]:
4-Nitrobenzonitrile

[Synonym ]:
P-Nitro
4-CYANONITROBENZENE
Benzonitrile,4-nitro
4-nitro-benzonitril
p-nitrobenzoic acid nitrile
4-Nitrobenzenenitrile
P-NITROBENZONITRILE
EINECS 210-610-0
P-Nitrophenylacetonitrile
4-Nitrobenzonitrile
para-nitro-benzonitrile
4-Nitrobenzolcarbonitril
p-nitro-benzonitril
p-Cyanonitrobenzene
4-nitrobenzylnitrile
Benzonitrile, 4-nitro-
MFCD00007279

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
307.7±25.0 °C at 760 mmHg

[ Melting Point ]:
144-147 °C(lit.)

[ Molecular Formula ]:
C₇H₄N₂O₂

[ Molecular Weight ]:
148.119

[ Flash Point ]:
139.9±23.2 °C

[ Exact Mass ]:
148.027283

[ PSA ]:
69.61000

[ LogP ]:
1.19

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.580

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4903500

CHEMICAL NAME :: Benzonitrile, p-nitro-

CAS REGISTRY NUMBER :: 619-72-7

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C7-H4-N2-O2

MOLECULAR WEIGHT :: 148.13

WISWESSER LINE NOTATION :: WNR DCN

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 :: 30 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 140 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 50 ug/disc

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300-H311 + H331

[ Precautionary Statements ]:
P261-P264-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S36/37/39-S45-S28A-S36/37-S22

[ RIDADR ]:
UN 2811 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DI4903500

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Nitrobenzaldehyde
1-(azidomethyl)-4-nitrobenzene
Benzamide, N,N-dimethyl-p-nitro-
1-((4-NITROPHENYL))METHANAMINE
N-Methoxy-N-methyl-4-nitrobenzamide
Oxirane,2-(4-nitrophenyl)-
Ethyl 4-nitrobenzoate
(4-Nitrophenyl)methanol
4-Nitrobenzaldoxime
4-Aminobenzonitrile

DownStream

4-CYANOACETANILIDE
4,4'-(diazene-1,2-diyl)dibenzonitrile
4-Aminobenzenecarbothioamide
5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE
4-morpholinoisophthalonitrile
4-Hydroxyisophthalonitrile
5-cyano-1-(2,4-dicyanophenyl)-1,2-dihydroindazolidin-3-one
4-Hydroxyisophthalic acid
2,4-dicyanoaniline

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

[A case of methemoglobinemia due to 4-nitrobenzonitrile exposure].

Med. Lav. 82(2) , 137-41, (1991)

The paper describes a singular case of acute intoxication by 4-nitrobenzonitrile, a rare intermediate compound produced by pharmaceutical synthesis. The patients subsequently showed an increase in tri...

Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent.

Org. Biomol. Chem. 8(2) , 413-8, (2010)

The one-electron reduction chemistry of the antituberculosis drug PA-824, together with a series of closely related compounds, has been investigated in irradiated anaerobic propan-2-ol solution. The p...

In vitro metabolism of aromatic nitriles.

J. Pharm. Sci. 83(12) , 1729-34, (1994)

Studies on the metabolic fate of aromatic nitriles, in contrast to their aliphatic counterparts, have been minimal and the subject of controversy. The in vitro metabolic fate of several aromatic nitri...