4-Pyridoxic acid

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Names

[ CAS No. ]:
82-82-6

[ Name ]:
4-Pyridoxic acid

[Synonym ]:
4-pyridoxinecarboxylicacid
4-Pyridoxicacidcrystalline
3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure
3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridine-carboxylic acid
4-pyridoxylicacid
EINECS 201-440-8
4-pyridoxinicacid
4-pyridoxinsaeure
3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid
4-Pyridoxic
Pyridoxic Acid
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
4-PYRIDOXIC ACID
3-hydroxy-2-methyl-5-methylol-isonicotinic acid
MFCD00006334

Chemical & Physical Properties

[ Density]:
1.48g/cm3

[ Boiling Point ]:
584.5ºC at 760 mmHg

[ Melting Point ]:
258-261ºC (dec.)(lit.)

[ Molecular Formula ]:
C8H9NO4

[ Molecular Weight ]:
183.16100

[ Flash Point ]:
307.3ºC

[ Exact Mass ]:
183.05300

[ PSA ]:
90.65000

[ LogP ]:
0.28610

[ Index of Refraction ]:
1.637

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NS1800000
CHEMICAL NAME :
Isonicotinic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
CAS REGISTRY NUMBER :
82-82-6
BEILSTEIN REFERENCE NO. :
0384006
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H9-N-O4
MOLECULAR WEIGHT :
183.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5400 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2050 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2900 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

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 ]:
36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
NS1800000

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-acetoxy-5-acetoxymethyl-2-methyl-isonicotinonitrile
  • pyridoxal
  • Pyridoxine

DownStream

  • 3,4-Pyridinedicarboxylic acid,5-hydroxy-6-methyl-

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Clinical analysis of vitamin B(6): determination of pyridoxal 5'-phosphate and 4-pyridoxic acid in human serum by reversed-phase high-performance liquid chromatography with chlorite postcolumn derivatization.

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Related Compounds

  • 4-Pyridoxic acid-d3
  • 4-pyridoxic acid lactone
  • 4-pyridoxic acid 5'-phosphate
  • Pyracin-5
  • 2,9,9-trimethyl-8,10-dioxa-3-azabicyclo[4.4.0]deca-2,4,11-triene-5-carboxamide
  • 4H-1,3-Dioxino[4,5-c]pyridine-5-carboxylicacid, 2,2,8-trimethyl-
  • 4-[[1-(4-Bromophenyl)-3-pyrrolidinyl]methyl]morpholine
  • 4-[[5-(4-Bromophenyl)-2-furanyl]methyl]morpholine
  • 4-[1-Phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]benzonitrile
  • 4-[2-(4-Bromophenyl)ethyl]-2-methylmorpholine
  • 4-[4-[2-Fluoro-4-[[[1-[[(4-fluorophenyl)amino]carbonyl]cyclopropyl]carbonyl]amino]phenoxy]-2-pyridinyl]-1h-pyrazole-1-acetic acid ethyl ester
  • 4-[5-(Bromomethyl)-2-oxazolyl]-6-[1-[(1,1-dimethylethyl)dimethylsilyl]-1h-indol-4-yl]-1-(phenylsulfonyl)-1h-indazole
  • 4-Acridinyl-1h-imidazol-1-ylmethanone
  • 4-Bromo-1-(4-methyl[1,1-biphenyl]-4-yl)-1h-pyrazole
  • 4-Bromo-2-(ethyl 2-(isopropylcarbamoyl)acetyl)benzoic acid
  • 4-Bromo-2-[1-(difluoromethyl)cyclopropyl]-1-(methoxymethoxy)benzene
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