CAS 100-17-4|4-Nitroanisole

Introduction：Basic information about CAS 100-17-4|4-Nitroanisole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles33
7. Synonyms

Common Name	4-Nitroanisole
CAS Number	100-17-4	Molecular Weight	153.135
Density	1.2±0.1 g/cm3	Boiling Point	260.0±0.0 °C at 760 mmHg
Molecular Formula	C₇H₇NO₃	Melting Point	51-53 °C
MSDS	ChineseUSA	Flash Point	134.6±21.8 °C

Names

Name	4-nitroanisole
Synonym	More Synonyms

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
InChIKey	BNUHAJGCKIQFGE-UHFFFAOYSA-N
SMILES	COc1ccc([N+](=O)[O-])cc1
Stability	Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility	0.468 g/L (20 ºC)

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

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%

Articles33

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...

Synonyms

1-Methoxy-4-nitrobenzene

4-Nitroanisole

MFCD00007327

Methyl 4-nitrophenyl ether

Benzene, 1-methoxy-4-nitro-

EINECS 202-825-3

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