Methyl 3-nitro-4-hydroxybenzoate

Modify Date: 2024-01-07 19:00:45

Methyl 3-nitro-4-hydroxybenzoate Structure
Methyl 3-nitro-4-hydroxybenzoate structure
Common Name Methyl 3-nitro-4-hydroxybenzoate
CAS Number 99-42-3 Molecular Weight 197.14500
Density 1.432 g/cm3 Boiling Point 311.1ºC at 760 mmHg
Molecular Formula C8H7NO5 Melting Point 74-76°C
MSDS N/A Flash Point 141.9ºC

 Names

Name Methyl 4-hydroxy-3-nitrobenzoate
Synonym More Synonyms

 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

Material Safety Data Sheet

Section1. Identification of the substance
Methyl 4-hydroxy-3-nitrobenzoate
Product Name:
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up

Section3. Composition/information on ingredients.
Methyl 4-hydroxy-3-nitrobenzoate
Ingredient name:
CAS number:99-42-3

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C8H7NO5
Molecular weight:197.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 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

~99%

Methyl 3-nitro-4-hydroxybenzoate Structure

Methyl 3-nitro-...

CAS#:99-42-3

Literature: Nakamura, Hiroyuki; Yasui, Yuka; Ban, Hyun Seung Journal of Organometallic Chemistry, 2013 , vol. 747, p. 189 - 194

~65%

Methyl 3-nitro-4-hydroxybenzoate Structure

Methyl 3-nitro-...

CAS#:99-42-3

Literature: Yoshitomi Pharmaceuticals Industries, Ltd. Patent: US6080738 A1, 2000 ; US 6080738 A

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Methyl 3-nitro-4-hydroxybenzoate Structure

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CAS#:99-42-3

Literature: US2008/305169 A1, ;

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Methyl 3-nitro-4-hydroxybenzoate Structure

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CAS#:99-42-3

Literature: US6030952 A1, ;

~82%

Methyl 3-nitro-4-hydroxybenzoate Structure

Methyl 3-nitro-...

CAS#:99-42-3

Literature: Sun, Aiming; Prussia, Andrew; Zhan, Weiqiang; Murray, Ernest E.; Doyle, Joshua; Cheng, Li-Ting; Yoon, Jeong-Joong; Radchenko, Eugene V.; Palyulin, Vladimir A.; Compans, Richard W.; Liotta, Dennis C.; Plemper, Richard K.; Snyder, James P. Journal of Medicinal Chemistry, 2006 , vol. 49, # 17 p. 5080 - 5092

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Methyl 3-nitro-4-hydroxybenzoate Structure

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CAS#:99-42-3

Literature: US3952058 A1, ;

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Methyl 3-nitro-4-hydroxybenzoate Structure

Methyl 3-nitro-...

CAS#:99-42-3

Literature: Tetrahedron Letters, , vol. 40, # 38 p. 6933 - 6937

~90%

Methyl 3-nitro-4-hydroxybenzoate Structure

Methyl 3-nitro-...

CAS#:99-42-3

Literature: Rajagopal; Srinivasan Synthetic Communications, 2003 , vol. 33, # 6 p. 961 - 966

 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%

 Synonyms

methyl 4-hydroxy-3-nitrobenzoate
MFCD00014695
EINECS 202-755-3