4-Nitroguaiacol

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Names

[ CAS No. ]:
3251-56-7

[ Name ]:
4-Nitroguaiacol

[Synonym ]:
4-Hydroxy-3-methoxynitrobenzene
EINECS 221-839-0
2-Methoxy-4-nitrophenol
MFCD00012143
Phenol,o-methoxy-p-nitro
Mononitro guaiacol
3-Nitro-6-hydroxyanisole
4-nitro-2-methoxyphenol
Phenol,2-methoxy-4-nitro
o-Methoxy-p-nitrophenol
2-Methoxy-4-nitro-phenol
4-Nitroguaiacol
Guaiacol,4-nitro
2-Hydroxy-5-nitroanisole
Phenol, 2-methoxy-4-nitro-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
335.2±27.0 °C at 760 mmHg

[ Melting Point ]:
102-104 °C(lit.)

[ Molecular Formula ]:
C7H7NO4

[ Molecular Weight ]:
169.135

[ Flash Point ]:
156.5±23.7 °C

[ Exact Mass ]:
169.037506

[ PSA ]:
75.28000

[ LogP ]:
1.58

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.583

[ Storage condition ]:
Refrigerator

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL7800000
CHEMICAL NAME :
Phenol, 2-methoxy-4-nitro-
CAS REGISTRY NUMBER :
3251-56-7
BEILSTEIN REFERENCE NO. :
1868796
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H7-N-O4
MOLECULAR WEIGHT :
169.15
WISWESSER LINE NOTATION :
WNR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,221,1954

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-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
SL7800000

[ HS Code ]:
2909500000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Nitro-o-anisidine
  • 1-ethoxy-2-methoxy-4-nitrobenzene
  • 3,4-Dimethoxynitrobenzene
  • Guaiacol
  • m-nitroanisole
  • 1-piperidino-3-(2-methoxy-4-nitrophenoxy)propane
  • 2-methoxy-4-nitrochlorobenzene
  • 3-Methoxysalicylic acid
  • n-(2-methoxy-4-nitrophenyl)acetamide

DownStream

  • 3-Methoxy Acetaminophen
  • 4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyaniline
  • 4-ethoxy-3-methoxy-benzenamin
  • 3,4-Dimethoxynitrobenzene
  • 4-Amino-2-methoxyphenol
  • 4-nitrocatechol
  • Benzenethiol, 2-methoxy-4-nitro- (9CI)
  • 4-Chloroguaiacol
  • 2-(4-chloro-2-hydroxyphenoxy)acetic acid
  • N-[4-(Acetyloxy)-3-methoxyphenyl]-acetamide

Customs

[ HS Code ]: 2909500000

[ Summary ]:
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Phase II metabolism in human skin: skin explants show full coverage for glucuronidation, sulfation, N-acetylation, catechol methylation, and glutathione conjugation.

Drug Metab. Dispos. 43(1) , 126-39, (2014)

Although skin is the largest organ of the human body, cutaneous drug metabolism is often overlooked, and existing experimental models are insufficiently validated. This proof-of-concept study investig...


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Related Compounds

  • 4-nitroguaiacol potassium salt
  • 4-Nitroguaiacol potassium salt hydrate
  • 4-chlorooxolan-3-ol,formic acid
  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • (4-acetyl-3,5-diacetyloxyphenyl) acetate
  • methyl 5-cyano-1-methyl-1H-pyrrole-2-carboxylate
  • 3-Amino-4-methoxybenzisoxazole
  • 7-Fluoro-5-hydroxyindolin-2-one
  • N-(1-cyano-3-methylcyclohexyl)-2-[(4-cyanophenyl)formamido]acetamide
  • Methyl 4-{[(5-chloro-3-methylfuro[3,2-b]pyridin-2-yl)(cyclohexyl)methyl]amino}benzoate
  • 4-{[(5-Chloro-3-methylfuro[3,2-b]pyridin-2-yl)(cyclohexyl)methyl]amino}benzoic acid
  • 5-(Benzyloxy)-3-methyl-1-benzofuran-2-carbaldehyde
  • 2-Amino-1-(3-fluoro-4-methylphenyl)propan-1-one
  • 2-Amino-1-(3-fluoro-2-methylphenyl)propan-1-one
  • 1-(3-Fluoropyridin-2-yl)-2-(methylamino)ethan-1-one
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