4-Nitroacetophenone

Names

[ CAS No. ]:
100-19-6

[ Name ]:
4-Nitroacetophenone

[Synonym ]:
4'-Nitroacetophenone
1-(4-Nitrophenyl)ethanone
Ethanone, 1-(4-nitrophenyl)-
p-Nitroacetophenone
EINECS 202-827-4
4-Nitroacetophenone
MFCD00007355

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
275.4±13.0 °C at 760 mmHg

[ Melting Point ]:
75-78 °C(lit.)

[ Molecular Formula ]:
C₈H₇NO₃

[ Molecular Weight ]:
165.146

[ Flash Point ]:
129.4±12.6 °C

[ Exact Mass ]:
165.042587

[ PSA ]:
62.89000

[ LogP ]:
1.42

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.558

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM9627000

CHEMICAL NAME :: Acetophenone, 4'-nitro-

CAS REGISTRY NUMBER :: 100-19-6

LAST UPDATED :: 199410

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C8-H7-N-O3

MOLECULAR WEIGHT :: 165.16

WISWESSER LINE NOTATION :: WNR DV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 500 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

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AM9627000

[ HS Code ]:
29147090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Acetylphenylboronic acid
1-Ethyl-4-nitrobenzene
4-Nitrophenylacetylene
1-(1-Bromoethyl)-4-nitrobenzene
1-(4-nitrophenyl)ethanol
2-methyl-2-(4-nitrophenyl)-1,3-dithiane
4-methyl-N'-(1-(4-nitrophenyl)ethylidene)benzenesulfonohydrazide
2-methyl-2-(4-nitrophenyl)-1,3-dioxolane
4-nitroacetophenone phenylhydrazone
Ethanone,1-(4-nitrophenyl)-, 2-[1-(4-nitrophenyl)ethylidene]hydrazone

DownStream

1,4-bis(4-nitrophenyl)butane-1,4-dione
3-chloro-3-(4-nitrophenyl)prop-2-enal
Ethanone,1-[4-(hydroxyamino)phenyl]-
1-(4-nitrophenyl)ethanol
4-Aminoacetophenone
4',4'''-Azobisacetophenone
1-(4-nitrophenyl)-2-phenylselanylethanone
6-(4-nitrophenyl)-4-oxido-1,2,4-triazin-4-ium
2-iodo-1-(4-nitrophenyl)ethanone
1-(2-iodo-1,1-dimethoxyethyl)-4-nitrobenzene

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Articles

Analysis of the Photodegradation of the Imidazolinone Herbicides Imazamox, Imazapic, Imazaquin, and Imazamethabenz-methyl in Aqueous Solution.

J. Agric. Food Chem. 63 , 10768-77, (2015)

The photodegradation of the imidazolinone herbicides imazamox, imazapic, imazaquin, and imazamethabenz-methyl has been investigated in phosphate-buffered solutions and buffered solutions containing na...

[Semiconservative and unscheduled DNA-synthesis of rat thymocytes under the influence of some radioprotecting and radiosensitizing agents (author's transl)].

Strahlentherapie 158(2) , 112-22, (1982)

Structure-reactivity effects on primary deuterium isotope effects on protonation of ring-substituted alpha-methoxystyrenes.

J. Am. Chem. Soc. 131(39) , 13952-62, (2009)

Primary product isotope effects (PIEs) on L(+) and carboxylic acid catalyzed protonation of ring-substituted alpha-methoxystyrenes (X-1) to form oxocarbenium ions X-2(+) in 50/50 (v/v) HOH/DOD were ca...