3'-Nitroacetophenone

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Names

[ CAS No. ]:
121-89-1

[ Name ]:
3'-Nitroacetophenone

[Synonym ]:
3’-Nitroacetophenone
MFCD00007259
Ethanone, 1-(3-nitrophenyl)-
1-(3-Nitrophenyl)ethanone
3'-Nitroacetophenone
m-Nitroacetophenone
3-Nitroacetophenone
EINECS 204-504-3

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
237.3±13.0 °C at 760 mmHg

[ Melting Point ]:
76-78 °C(lit.)

[ Molecular Formula ]:
C8H7NO3

[ Molecular Weight ]:
165.146

[ Flash Point ]:
99.9±12.6 °C

[ Exact Mass ]:
165.042587

[ PSA ]:
62.89000

[ LogP ]:
1.49

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

[ Index of Refraction ]:
1.558

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

[ Water Solubility ]:
<0.01 g/100 mL at 20 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM9625000
CHEMICAL NAME :
Acetophenone, 3'-nitro-
CAS REGISTRY NUMBER :
121-89-1
LAST UPDATED :
199806
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H7-N-O3
MOLECULAR WEIGHT :
165.16
WISWESSER LINE NOTATION :
WNR CV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3250 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 :
200 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 - rabbit
DOSE/DURATION :
3 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 mg/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987

Safety Information

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

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R21

[ Safety Phrases ]:
22-24/25

[ RIDADR ]:
UN 2735 8/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
AM9625000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29147090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Nitrostyrene
  • Acetophenone
  • 3-Nitrophenacylbromide
  • 3-Nitrophenylacetylene
  • o-Phenylenediamine
  • 1-(3-nitrophenyl)ethanol
  • 1-(3-nitro-phenyl)-ethanone-phenylhydrazone
  • m-Nitroacetophenone N,N-dimethylhydrazone
  • Ethanone,1-(3-nitrophenyl)-, oxime
  • ((1-(3-nitrophenyl)ethoxy)methanetriyl)tribenzene

DownStream

  • 3-nitrophenacylamine hydrochloride
  • 1-(5-Amino-2-hydroxyphenyl)ethanone
  • 2-(3-Nitrophenyl)ethanamine
  • Benzenamine,3-(2-methyl-1,3-dioxolan-2-yl)-
  • 3-Dimethylamino-1-(3-nitrophenyl)propan-1-one
  • 2-(3-Amino-2,4,6-triiodophenyl)propionic acid
  • 3-[3,5-bis(3-aminophenyl)phenyl]aniline
  • 3-Nitrobenzaldehyde
  • 3-(4-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
  • (E)-1-(3-nitrophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

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

  • 3'-nitroacetophenone, azine
  • 4-bromo-3'-nitroacetophenone
  • 2-Bromo-3'-nitroacetophenone
  • α-Chloro-3'-nitroacetophenone
  • 2'-Amino-3'-nitroacetophenone
  • 2'-bromo-3'-nitroacetophenone
  • 4,7-Dimethyl-2-(3-oxobutan-2-yl)-6-propylpurino[7,8-a]imidazole-1,3-dione
  • CID 16798059
  • (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3,5-dimethylphenyl)methanone
  • (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3,4-dimethylphenyl)methanone
  • (4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(naphthalen-2-yl)methanone
  • 2-(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)-1-(azepan-1-yl)ethanone
  • 3,7,9-trimethyl-1-octyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • 3,7,9-trimethyl-1-nonyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • 1-[(4-fluorophenyl)methyl]-3,7,9-trimethyl-5,7,9-trihydro-4H-1,2,4-triazino[4, 3-h]purine-6,8-dione
  • 1-[(2,4-dichlorophenyl)methyl]-3,7,9-trimethyl-5,7,9-trihydro-4H-1,2,4-triazin o[4,3-h]purine-6,8-dione
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