4-Nitrobenzonitrile

Modify Date: 2024-01-02 20:37:47

4-Nitrobenzonitrile Structure
4-Nitrobenzonitrile structure
Common Name 4-Nitrobenzonitrile
CAS Number 619-72-7 Molecular Weight 148.119
Density 1.3±0.1 g/cm3 Boiling Point 307.7±25.0 °C at 760 mmHg
Molecular Formula C7H4N2O2 Melting Point 144-147 °C(lit.)
MSDS Chinese USA Flash Point 139.9±23.2 °C
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name 4-Nitrobenzonitrile
Synonym More Synonyms

 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

 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
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

 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%

 Articles5

More 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...

 Synonyms

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
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