2′-Nitroacetophenone

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Names

[ CAS No. ]:
577-59-3

[ Name ]:
2′-Nitroacetophenone

[Synonym ]:
1-(2-Nitrophenyl)ethan-1-one
2-Nitroacetophene
O-NITROACETOPHENONE
1-(2-Nitrophenyl)ethanone
o-Acetylnitrobenzene
2-Acetylnitrobenzene
2`-Nitroacetophenone
MFCD00007259
1-(2-Nitrophenyl)-1-ethanone
WNR BV1
EINECS 209-414-8
o-Nitrophenyl methyl ketone
2-nitrophenylacetoaldehyde
Ethanone, 1-(2-nitrophenyl)-
1-Acetyl-2-nitrobenzene
2′-Nitroacetophenone
Methyl 2-nitrophenyl ketone
o-Nitroacetylbenzene
2'-Nitroacetophenone
Acetophenone, 2'-nitro-
2'-METHYLBIPHENYL-2-CARBOXYLIC ACID

Chemical & Physical Properties

[ Density]:
1.23

[ Boiling Point ]:
286.4±13.0 °C at 760 mmHg

[ Melting Point ]:
76-78 °C(lit.)

[ Molecular Formula ]:
C8H7NO3

[ Molecular Weight ]:
165.146

[ Flash Point ]:
137.8±12.6 °C

[ Exact Mass ]:
165.042587

[ PSA ]:
62.89000

[ LogP ]:
1.28

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

[ Index of Refraction ]:
1.558

[ Storage condition ]:
Refrigerator

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
Insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM9600000
CHEMICAL NAME :
Acetophenone, 2'-nitro-
CAS REGISTRY NUMBER :
577-59-3
BEILSTEIN REFERENCE NO. :
1102322
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H7-N-O3
MOLECULAR WEIGHT :
165.16
WISWESSER LINE NOTATION :
WNR BV1

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 :
1600 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 :
800 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 :
Mammal - species unspecified
DOSE/DURATION :
>20 gm/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 :
5 uL/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 ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AM9625000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29147090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Ethylnitrobenzene
  • N-[1-(2-nitrophenyl)ethylidene]hydroxylamine
  • Trimethyl(vinyloxy)silane
  • 1-Iodo-2-nitrobenzene
  • Acetophenone
  • (2-nitrophenyl) trifluoromethanesulfonate
  • carbon monoxide

DownStream

  • Kynurenic acid
  • 2'-Aminoacetophenone
  • Benzenemethanol, a-methyl-2-nitro-
  • lepidine
  • 2-aminobutyrophenone
  • indoxyl
  • 4-(2-Nitro-Phenyl)-Thiazol-2-Ylamine
  • 2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
  • 2-Nitrobenzoic acid

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%

Related Compounds

  • 2′-Deoxy-5-methoxyuridine
  • 2′,4,4′,6-Tetrachloro[1,1′-biphenyl]-3-carboxylic acid
  • 2′-O-(2-Methoxyethyl)guanosine
  • 2′,4′-Dihydroxy-4-prenyloxychalcone
  • 2′-amino-6-bromo-1′,2,2-trimethylspiro[chroman-4,4′-imidazol]-5′(1′H)-one
  • 2-Amino-9-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)-8-methyl-3,9-dihydro-6H-purin-6-one
  • ({2-[(4-Nitrophenyl)carbamoyl]ethyl}sulfanyl)sulfonic acid
  • 6-Bromo-2-(bromomethyl)-[1,2,4]triazolo[1,5-a]pyridine
  • Propan-2-yl 2-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
  • Tert-butyl 2-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
  • 3,3-Bis(methylsulfanyl)-1-azaspiro[3.3]heptane
  • 4-(Dimethylcarbamoyl)phenyl chloroformate
  • Tert-butyl 4-(2-methylbut-3-yn-2-yl)morpholine-3-carboxylate
  • Dimethyl({2-[6-methyl-1-(2-methylbut-3-yn-2-yl)piperidin-2-yl]ethyl})amine
  • 2-(Azidomethyl)-1-(2-methylbut-3-yn-2-yl)pyrrolidine
  • 2,7-Dimethyl-4-(2-methylbut-3-yn-2-yl)-1,4-oxazepane
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