Ethyl 4-nitrobenzoate

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Names

[ CAS No. ]:
99-77-4

[ Name ]:
Ethyl 4-nitrobenzoate

[Synonym ]:
Ethyl para-nitrobenzoate
4-Nitrobenzoic acid ethyl ester
Benzoic acid, 4-nitro-, ethyl ester
ethyl p-nitrobenzoate
MFCD00007351
ethyl 4-nitrobenzoate
EINECS 202-786-2

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
315.0±25.0 °C at 760 mmHg

[ Melting Point ]:
55-59 °C(lit.)

[ Molecular Formula ]:
C9H9NO4

[ Molecular Weight ]:
195.172

[ Flash Point ]:
148.2±25.2 °C

[ Exact Mass ]:
195.053162

[ PSA ]:
72.12000

[ LogP ]:
2.33

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.545

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH5600000
CHEMICAL NAME :
Benzoic acid, p-nitro-, ethyl ester
CAS REGISTRY NUMBER :
99-77-4
BEILSTEIN REFERENCE NO. :
1912879
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N-O4
MOLECULAR WEIGHT :
195.19
WISWESSER LINE NOTATION :
WNR DVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

Safety Information

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R33

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH5600000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanol
  • 4-Nitrobenzaldehyde
  • 4-Nitrobenzoic acid
  • Ethyl potassium oxalate
  • 1-Bromo-4-nitrobenzene
  • 1-Iodo-4-nitrobenzene
  • carbon monoxide
  • Ethyl 4-methylbenzenesulfonate
  • Benzocaine
  • 1-CARBETHOXYIMIDAZOLE

DownStream

  • ethyl 4-phenylsulfanylbenzoate
  • 2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
  • 3-phenyl-2,1-benzoxazole-5-carboxylic acid
  • 5-ethoxycarbonyl-3-phenyl-2,1-benzisoxazole
  • ethyl 4-isocyanatobenzoate
  • Ethyl 4-(butylamino)benzoate
  • Tetracaine
  • Sodium 4-nitrobenzoate
  • 4-Fluorobenzoic acid
  • Ethyl 4-Fluorobenzoate

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • 2-diethylaminoethyl 4-nitrobenzoate
  • 2-dimethylaminoethyl 4-nitrobenzoate
  • 1-(4-metoxyphenyl)ethyl 4-nitrobenzoate
  • 1-phenyl-1-(p-tolyl)ethyl 4-nitrobenzoate
  • 2-(7-methylnaphthalen-1-yl)ethyl 4-nitrobenzoate
  • 2-(Diethylamino)ethyl 4-nitrobenzoate hydrochloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 5-Cyclopropanecarbonylspiro[2.5]octan-6-one
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide