Methyl 4-nitrobenzoate

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Names

[ CAS No. ]:
619-50-1

[ Name ]:
Methyl 4-nitrobenzoate

[Synonym ]:
p-Nitrobenzoic acid methyl ester
EINECS 210-599-2
methyl (4-nitrophenyl)carboxylate
Methyl-4-nitrobenzolcarboxylat
p-Carbomethoxynitrobenzene
Methyl p-nitro benzoate
4-nitrobenzoic acid methyl ester
METHYL P-NITROBENZOATE
Benzoic acid, 4-nitro-, methyl ester
Methyl 4-nitrobenzoate
Benzoic acid,p-nitro-,methyl ester
Benzoic acid,4-nitro-,methyl ester
MFCD00007350

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
302.6±25.0 °C at 760 mmHg

[ Melting Point ]:
94-96 °C(lit.)

[ Molecular Formula ]:
C8H7NO4

[ Molecular Weight ]:
181.145

[ Flash Point ]:
149.2±25.2 °C

[ Exact Mass ]:
181.037506

[ PSA ]:
72.12000

[ LogP ]:
1.80

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

[ Index of Refraction ]:
1.554

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH5775000
CHEMICAL NAME :
Benzoic acid, p-nitro-, methyl ester
CAS REGISTRY NUMBER :
619-50-1
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H7-N-O4
MOLECULAR WEIGHT :
181.16
WISWESSER LINE NOTATION :
WNR DVO1

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 :
200 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 ]:
T+

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH5775000

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanol
  • 4-Nitrobenzaldehyde
  • (4-Nitrophenyl)methanol
  • TMOS
  • 1-Nitro-4-phenylethynyl-benzene
  • 4-Nitrobenzoic acid
  • (Trimethylsilyl)diazomethane
  • diazomethane
  • methyl 4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)benzoate
  • 1-Iodo-4-nitrobenzene

DownStream

  • 3-phenyl-2,1-benzoxazole-5-carboxylic acid
  • 3-phenyl-benzo[c]isoxazole-5-carboxylic acid methyl ester
  • 4-Amino-N-(2-hydroxyethyl)benzamide
  • 4-Nitroaniline
  • Methyl anisate
  • p-Anisic acid
  • 4-Nitrobenzoic acid
  • Methyl trifluoroacetate
  • Sodium 4-nitrobenzoate
  • 4-Nitrobenzotrifluoride

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%

Related Compounds

  • 4-nitrophenylmethyl 4-nitrobenzoate
  • (3-methylphenyl)methyl 4-nitrobenzoate
  • (9H-fluoren-9-yl)methyl 4-nitrobenzoate
  • (4-chlorobenzamido)methyl 4-nitrobenzoate
  • (3-methyloxiran-2-yl)methyl 4-nitrobenzoate
  • (4-hydroxyoxolan-2-yl)methyl 4-nitrobenzoate