3,4-Dihydroxy-5-nitrobenzaldehyde

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Names

[ CAS No. ]:
116313-85-0

[ Name ]:
3,4-Dihydroxy-5-nitrobenzaldehyde

[Synonym ]:
0-08-00-00261 (Beilstein Handbook Reference)
MFCD00871897
EINECS 441-810-8
Benzaldehyde, 3,4-dihydroxy-5-nitro-
3,4-Dihydroxy-5-nitrobenzaldehyde
WNR BQ CQ EVH
5-Nitroprotocatechuic aldehyde
3-Nitro-4,5-dihydroxybenzaldehyde

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
310.9±42.0 °C at 760 mmHg

[ Melting Point ]:
147 °C

[ Molecular Formula ]:
C7H5NO5

[ Molecular Weight ]:
183.118

[ Flash Point ]:
141.1±16.3 °C

[ Exact Mass ]:
183.016769

[ PSA ]:
103.35000

[ LogP ]:
2.46

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

[ Index of Refraction ]:
1.719

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU5665000
CHEMICAL NAME :
Benzaldehyde, 3,4-dihydroxy-5-nitro-
CAS REGISTRY NUMBER :
116313-85-0
BEILSTEIN REFERENCE NO. :
3283877
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H5-N-O5
MOLECULAR WEIGHT :
183.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
312 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HCACAV Helvetica Chimica Acta. (Verlag Helvetica Chimica Acta, Postfach, CH-4002 Basel, Switzerland) V.1- 1918- Volume(issue)/page/year: 72,952,1989

Safety Information

[ Hazard Codes ]:
T

[ Risk Phrases ]:
25-36-43

[ Safety Phrases ]:
26-36/37-45

[ RTECS ]:
CU5665000

[ HS Code ]:
2913000090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Nitrovanillin
  • Carbon
  • Vanillin

DownStream

  • Entacapone
  • cis-entacapone
  • AG-1288
  • 3-BENZYLOXY-4-HYDROXY-5-NITRO-BENZALDEHYDE
  • TRIFLUORO-METHANESULFONIC ACID 2-BENZYLOXY-4-FORMYL-6-NITRO-PHENYL ESTER
  • 3,4-Dimethoxy-5-nitrobenzaldehyde
  • 3-(3-hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione
  • 3,4-dihydroxy-5-nitro-benzonitrile
  • 4-(3,4-dihydroxy-5-nitrophenyl)-3-methylbut-3-en-2-one
  • Nitecapone

Customs

[ HS Code ]: 2913000090

[ Summary ]:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

Related Compounds

  • 2-Chloro-3,4-dihydroxy-5-nitrobenzaldehyde
  • 3,4-dihydroxy-5-[3,4,5-trihydroxy-2-[[(4-sulfophenyl)amino]methyl]benzoyl]oxy-benzoic acid
  • 3,4-Dihydroxy-5-methoxybenzoic acid
  • [3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • 3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
  • 3,4-dihydroxy-5-methylhexan-2-one
  • 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)-
  • 2-Cyclohexyl-1-{4-[(5-methylpyrimidin-2-yl)oxy]piperidin-1-yl}ethan-1-one
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 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
  • 5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide