4-Nitroanisole

Names

[ CAS No. ]:
100-17-4

[ Name ]:
4-Nitroanisole

[Synonym ]:
1-Methoxy-4-nitrobenzene
4-Nitroanisole
MFCD00007327
Methyl 4-nitrophenyl ether
Benzene, 1-methoxy-4-nitro-
EINECS 202-825-3

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
260.0±0.0 °C at 760 mmHg

[ Melting Point ]:
51-53 °C

[ Molecular Formula ]:
C₇H₇NO₃

[ Molecular Weight ]:
153.135

[ Flash Point ]:
134.6±21.8 °C

[ Exact Mass ]:
153.042587

[ PSA ]:
55.05000

[ LogP ]:
2.03

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.543

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases.

[ Water Solubility ]:
0.468 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BZ8800000

CHEMICAL NAME :: Anisole, p-nitro-

CAS REGISTRY NUMBER :: 100-17-4

LAST UPDATED :: 199701

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C7-H7-N-O3

MOLECULAR WEIGHT :: 153.15

WISWESSER LINE NOTATION :: WNR DO1

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 :: 2300 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 :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >16 gm/kg

TOXIC EFFECTS :: Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Gastrointestinal - other changes Liver - fatty liver degeneration

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 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 :: 698 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex)

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 5 mg/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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 3 mg/m3 JAN 1993

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R68

[ Safety Phrases ]:
S61-S36/37

[ RIDADR ]:
UN 3458 6.1/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
BZ8800000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2909309090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2909309090

[ Summary ]:
2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Mechanistic Insight into the Yolk@Shell Transformation of MnO@Silica Nanospheres Incorporating Ni(2+) Ions toward a Colloidal Hollow Nanoreactor.

Small 11(16) , 1930-8, (2015)

As an effort to develop a simple and versatile synthetic strategy that contributes to the evolution of hollow nanostructures with increasing complexity and functionality, this research is devoted to s...

Photolysis of Low-Brominated Diphenyl Ethers and Their Reactive Oxygen Species-Related Reaction Mechanisms in an Aqueous System.

PLoS ONE 10 , e0135400, (2015)

To date, no report was concerned with participation of reactive oxygen species in waters during photolysis of low-brominated diphenyl ethers (LBDEs). Herein, we found that electron spin resonance (ESR...

Precursor chemistry matters in boosting photoredox activity of graphene/semiconductor composites.

Nanoscale 7 , 18062-70, (2015)

Considerable effort has been made to fabricate graphene (GR)/semiconductor composite photocatalysts, by using graphene oxide (GO) as the most widely used precursor of GR, toward an improved efficacy o...