Picramic acid

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Names

[ CAS No. ]:
96-91-3

[ Name ]:
Picramic acid

[Synonym ]:
MFCD00070534
EINECS 202-544-6
4,6-dinitro-2-aminophenol
Zoba 4R
2-amino-4,6-DNP
1-amino-2-hydroxy-3,5-dinitrobenzene
2-amino-4,6-dinitro-1-hydroxybenzene
1-hydroxy-2-amino-4,6-dinitrobenzene
Furro 4R
Fourrine 4R
Oxidation Base 21
Fourrine 93
2-amino-4,6-dinitro-phenol
6-Amino-2,4-dinitrophenol
Picramic acid
Acide picramique

Chemical & Physical Properties

[ Density]:
1.749 g/cm 3

[ Boiling Point ]:
386.3ºC at 760 mmHg

[ Melting Point ]:
169°C

[ Molecular Formula ]:
C6H5N3O5

[ Molecular Weight ]:
199.12100

[ Flash Point ]:
187.5ºC

[ Exact Mass ]:
199.02300

[ PSA ]:
137.89000

[ LogP ]:
2.41840

[ Index of Refraction ]:
1.73

[ Stability ]:
Stable. Combustible - burns rapidly: dangerous fire risk. Do not subject to shock, friction or heat. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
<0.1 g/100 mL at 20.5 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ5800000
CHEMICAL NAME :
Phenol, 2-amino-4,6-dinitro-
CAS REGISTRY NUMBER :
96-91-3
BEILSTEIN REFERENCE NO. :
0989416
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H5-N3-O5
MOLECULAR WEIGHT :
199.14
WISWESSER LINE NOTATION :
WNR CZ DQ ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Cardiac - other changes Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - body temperature increase

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
5 umol/plate
REFERENCE :
NEZAAQ Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. (Nippon Eisei Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.1- 1946- Volume(issue)/page/year: 38,533,1983

Safety Information

[ Hazard Codes ]:
E,Xn

[ Risk Phrases ]:
R1

[ Safety Phrases ]:
S35-S61

[ RIDADR ]:
3317

[ RTECS ]:
SJ5800000

[ Packaging Group ]:
II

[ Hazard Class ]:
4.1

[ HS Code ]:
2922299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Trinitrophenol
  • 2-Amino-6-nitrophenol
  • benzoic acid-(2-hydroxy-3,5-dinitro-anilide)
  • Phenol,2,4,6-trinitro-, sodium salt (1:1)
  • aminophenol
  • 2,4-Dinitrophenol
  • Benzamide, N-[2-(benzoyloxy)phenyl]-
  • 2-Amino-4-nitrophenol

DownStream

  • 2-CHLORO-4,6-DINITROPHENOL
  • 2,4-Dinitrophenol
  • 2-Amino-6-chloro-4-nitrophenol
  • N-(8,10-dinitro-5-oxobenzo[a]phenoxazin-6-yl)acetamide
  • N-(3-amino-2-hydroxy-5-nitrophenyl)acetamide
  • Acetamide,N-(2-hydroxy-3,5-dinitrophenyl)-

Customs

[ HS Code ]: 2922299090

[ Summary ]:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • Picramic Acid Sodium Salt
  • Picramic acid,zirconium salt
  • Octanethioic acid S-propyl ester
  • Hexanethioic acid S-decyl ester
  • Thiopropionic acid S-undecyl ester
  • trisporic acid
  • 1-(cyclopropylmethyl)-3-(2,4-dichlorobenzyl)-4-hydroxy-2(1H)-pyridinone
  • Methyl 2-(1-cyclopropyl-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)acetate
  • N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)-2-(1-tert-butyl-3-methyl-1H-pyrazol-5-ylamino)acetamide
  • N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)-2-(1-methyl-1H-pyrazol-3-ylamino)acetamide
  • N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)-2-(3-fluoro-5-(trifluoromethyl)phenylamino)acetamide
  • N'-acetyl-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
  • N-[(2-Chloro-4-pyridinyl)sulfonyl]glycine ethyl ester
  • methyl 3-[[5-(2-acetyl-5-methyl-3,4-dihydropyrazol-3-yl)-6-oxo-1H-pyrimidin-4-yl]oxy]benzoate
  • (4aS,9aR,Z)-11-(1-hydroxyethylidene)-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
  • 7-chloro-4-hydroxy-3-(3-methylphenyl)-2(1H)-quinolone
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