3,4-Dihydroxybenzaldehyde

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Names

[ CAS No. ]:
139-85-5

[ Name ]:
3,4-Dihydroxybenzaldehyde

[Synonym ]:
Benzaldehyde, 3,4-dihydroxy-
1,2-dihydroxy-4-formylbenzene
3,4-Dihydroxy benzaldehyde
4-formyl-1,2-benzenediol
3,4-Dihydroxybenzyl aldehyde
RANCINAMYCIN IV
MFCD00003370
UNII-4PVP2HCH4T
4-formyl-1,2-dihydroxybenzene
EINECS 205-377-7
3,4-Dihydroxybenzaldehyde
Protocatechuic aldehyde
Protocatechualdehyde

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
295.4±20.0 °C at 760 mmHg

[ Melting Point ]:
150-157 °C(lit.)

[ Molecular Formula ]:
C7H6O3

[ Molecular Weight ]:
138.12

[ Flash Point ]:
146.7±18.3 °C

[ Exact Mass ]:
138.031693

[ PSA ]:
57.53000

[ LogP ]:
1.14

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

[ Index of Refraction ]:
1.674

[ Storage condition ]:
2-8°C

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

[ Water Solubility ]:
50 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UL0380000
CHEMICAL NAME :
Protocatechualdehyde
CAS REGISTRY NUMBER :
139-85-5
LAST UPDATED :
198311
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H6-O3
MOLECULAR WEIGHT :
138.13
WISWESSER LINE NOTATION :
VHR CQ DQ

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 :
205 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 15,461,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07875

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UL0380000

[ HS Code ]:
29124900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Isovanillin
  • Vanillin
  • piperonal
  • DL-3,4-dihydroxyphenylglycine
  • isatinsulfonic acid
  • sodium isatin-sulfonate
  • 3,4-Dihydroxymandelic acid
  • 5-(Hydroxymethyl)-2-methoxyphenol
  • 1,2-Benzenediol

DownStream

  • 3,4-bis(trimethylsilyloxy)benzaldehyde
  • 6-(2-Nitrovinyl)-1,4-benzodioxan
  • 3-Chloro-4,5-dihydroxybenzaldehyde
  • 3,4-Dihydroxybenzamide
  • 4-Hydroxymethylcatechol
  • 1H-Indole-5,6-diol
  • 3-Hydroxy-4-benzyloxy benzaldehyde
  • 3-Benzyloxy-4-hydroxybenzaldehyde
  • 3,4-dibenzyloxybenzaldehyde
  • 3,4-Dihydroxy-5-methoxybenzaldehyde

Customs

[ HS Code ]: 2912499000

[ Summary ]:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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Aromatic aldehydes are useful in numerous applications, especially as flavors, fragrances, and pharmaceutical precursors. However, microbial synthesis of aldehydes is hindered by rapid, endogenous, an...

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Chromatographic evaluation and QSAR optimization for benzoic acid analogues against carbonic anhydrase III.

J. Enzyme Inhib. Med. Chem. 30 , 420-9, (2015)

An HPLC-size exclusion method was developed as an assay method to evaluate the binding of tested compounds with carbonic anhydrase III (CAIII) enzyme. Inhibition of CAIII by a group of benzoic acid an...


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Related Compounds

  • 3,4-dihydroxybenzaldehyde
  • 3,4-dihydroxybenzaldehyde-d3
  • 5-chloro-3,4-dihydroxybenzaldehyde
  • 6-chloro-3,4-dihydroxybenzaldehyde
  • 2-fluoro-3,4-dihydroxybenzaldehyde
  • 5-METHOXY-3,4-DIHYDROXYBENZALDEHYDE
  • 2-(3-(benzylsulfonyl)-1H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
  • 2-(3-((2-fluorobenzyl)sulfonyl)-1H-indol-1-yl)-N-mesitylacetamide
  • 2-(3-((3-chlorobenzyl)sulfonyl)-1H-indol-1-yl)-N-(4-methylbenzyl)acetamide
  • N-(2,6-dimethylphenyl)-2-(3-((4-fluorobenzyl)sulfonyl)-1H-indol-1-yl)acetamide
  • Methyl (3S)-3-aminohexanoate
  • 3-benzyl-8-methoxy-1-(3-methoxybenzyl)-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
  • 3-(Dimethylamino)fluoren-9-one
  • 4-((2,4-Difluorophenyl)amino)-2-((3,4-dimethoxyphenethyl)amino)-4-oxobutanoic acid
  • 4-((2,4-Difluorophenyl)amino)-2-((2-ethylhexyl)amino)-4-oxobutanoic acid
  • 5-bromo-N-(2-fluoro-5-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl)furan-2-carboxamide
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