Methyl 3-nitro-4-hydroxybenzoate

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Names

[ CAS No. ]:
99-42-3

[ Name ]:
Methyl 3-nitro-4-hydroxybenzoate

[Synonym ]:
methyl 4-hydroxy-3-nitrobenzoate
MFCD00014695
EINECS 202-755-3

Chemical & Physical Properties

[ Density]:
1.432 g/cm3

[ Boiling Point ]:
311.1ºC at 760 mmHg

[ Melting Point ]:
74-76°C

[ Molecular Formula ]:
C8H7NO5

[ Molecular Weight ]:
197.14500

[ Flash Point ]:
141.9ºC

[ Exact Mass ]:
197.03200

[ PSA ]:
92.35000

[ LogP ]:
1.61020

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH2528400
CHEMICAL NAME :
Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
CAS REGISTRY NUMBER :
99-42-3
BEILSTEIN REFERENCE NO. :
2115197
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H7-N-O5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0287-0657S
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0287-0657S

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RTECS ]:
DH2528400

[ HS Code ]:
2918290000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanol
  • 4-Hydroxy-3-nitrobenzoic acid
  • SodiuM bicarbonate
  • Methyl 4-hydroxybenzoate
  • Sulfuric acid
  • Trimethyloxonium tetrafluoroborate
  • dichloroethane

DownStream

  • methyl 3-bromo-4-hydroxy-5-nitrobenzoate
  • Methyl 3-amino-5-bromo-4-hydroxybenzoate
  • Methyl 3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylate
  • Orthocaine
  • METHYL 2-METHYLBENZO[D]OXAZOLE-5-CARBOXYLATE
  • 3-Amino-4-hydroxybenzoic acid
  • METHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
  • Benzamide, 3-amino-4-hydroxy- (9CI)
  • 4-hydroxy-3-nitrobenzamide
  • methyl 3-nitro-4-[2-(2-nitrophenoxy)ethoxy]benzoate

Customs

[ HS Code ]: 2918290000

[ Summary ]:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • Methyl-[3-nitro-4-dimethylamino-phenyl]-sulfon
  • METHYL 3-NITRO-4-PIPERAZINOBENZENECARBOXYLATE
  • methyl 3-nitro-4-[2-(2-nitrophenoxy)ethoxy]benzoate
  • methyl 3-nitro-4-bromomethylbenzoate
  • methyl 3-nitro-4-(propylamino)benzoate
  • Methyl 3-nitro-4-(piperazin-1-yl)benzoate
  • 2,2,2-Trifluoro-1-(6-methoxy-1,3-dioxaindan-5-yl)ethan-1-amine
  • 1,1-Difluoro-3-(4-methanesulfonylphenyl)-2-methylpropan-2-amine
  • 1-(2-cyclopropylethyl)-1H-1,2,3-benzotriazol-6-amine
  • 2-[2-(2-cyclopropylcyclopropyl)ethyl]-2H-1,2,3-triazol-4-amine
  • 3-(4-chloro-3-methyl-1H-pyrazol-1-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
  • 2-(3-methanesulfonyl-2,2-dimethylpropyl)-2H-1,2,3-triazol-4-amine
  • 1-[(oxan-3-yloxy)methyl]-1H-1,2,3-triazol-4-amine
  • 2,2-difluoro-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-amine
  • 2,2-Difluoro-3-(4-fluoropyridin-2-yl)propan-1-amine
  • 1,1,1-Trifluoro-3-(2-methylcyclopropyl)propan-2-amine
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