4-nitrohippuric acid

Modify Date: 2024-01-28 18:53:14

4-nitrohippuric acid Structure
4-nitrohippuric acid structure
Common Name 4-nitrohippuric acid
CAS Number 2645-07-0 Molecular Weight 224.17000
Density 1.467g/cm3 Boiling Point 531.2ºC at 760mmHg
Molecular Formula C9H8N2O5 Melting Point 131-133 °C(lit.)
MSDS N/A Flash Point 275ºC

 Use of 4-nitrohippuric acid


N-(4-Nitrobenzoyl)glycine is a Glycine (HY-Y0966) derivative[1].

 Names

Name 2-[(4-nitrobenzoyl)amino]acetic acid
Synonym More Synonyms

 4-nitrohippuric acid Biological Activity

Description N-(4-Nitrobenzoyl)glycine is a Glycine (HY-Y0966) derivative[1].
Related Catalog
In Vitro Amino acids and amino acid derivatives have been commercially used as ergogenic supplements. They influence the secretion of anabolic hormones, supply of fuel during exercise, mental performance during stress related tasks and prevent exercise induced muscle damage. They are recognized to be beneficial as ergogenic dietary substances[1].
References

[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

 Chemical & Physical Properties

Density 1.467g/cm3
Boiling Point 531.2ºC at 760mmHg
Melting Point 131-133 °C(lit.)
Molecular Formula C9H8N2O5
Molecular Weight 224.17000
Flash Point 275ºC
Exact Mass 224.04300
PSA 112.22000
LogP 1.32330
Vapour Pressure 4.11E-12mmHg at 25°C
Storage condition 2-8°C

 MSDS

Name: 4-Nitrohippuric acid 98% Material Safety Data Sheet
Synonym: N-(4-Nitrobenzoyl)glycin
CAS: 2645-07-0
Section 1 - Chemical Product MSDS Name:4-Nitrohippuric acid 98% Material Safety Data Sheet
Synonym:N-(4-Nitrobenzoyl)glycin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2645-07-0 4-Nitrohippuric acid 98.0 220-156-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 2645-07-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 131 - 133 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H8N2O5
Molecular Weight: 224.17

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2645-07-0: MC0785000 LD50/LC50:
Not available.
Carcinogenicity:
4-Nitrohippuric acid - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2645-07-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2645-07-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2645-07-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MC0785000
CHEMICAL NAME :
Glycine, N-(4-nitrobenzoyl)-
CAS REGISTRY NUMBER :
2645-07-0
BEILSTEIN REFERENCE NO. :
1125394
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H8-N2-O5
MOLECULAR WEIGHT :
224.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 mg/plate
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 19(Suppl 21),2,1992

 Safety Information

WGK Germany 3
RTECS MC0785000
HS Code 2924299090

 Synthetic Route

~64%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: F2G LTD Patent: WO2008/62182 A1, 2008 ; Location in patent: Page/Page column 153 ;

~83%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: Barati, Behjat; Moghadam, Majid; Rahmati, Abbas; Tangestaninejad, Shahram; Mirkhani, Valiollah; Mohammadpoor-Baltork, Iraj Synlett, 2013 , vol. 24, # 1 p. 90 - 96

~86%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: Jursic; Neumann Synthetic Communications, 2001 , vol. 31, # 4 p. 555 - 564

~%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: DeRuiter, Jack; Swearingen, Blake E.; Wandrekar, Vinay; Mayfield, Charles A. Journal of Medicinal Chemistry, 1989 , vol. 32, # 5 p. 1033 - 1038

~%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: Curran, Terence C; Farrar, Charles R.; Niazy, Omima; Williams, Andrew Journal of the American Chemical Society, 1980 , vol. 102, # 22 p. 6828 - 6837

~%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: Lebedukho; Kuritsyn; Sadovnikov Russian Journal of General Chemistry, 2004 , vol. 74, # 2 p. 222 - 224

~%

4-nitrohippuric acid Structure

4-nitrohippuric acid

CAS#:2645-07-0

Literature: Um, Ik-Hwan; Chung, Eun-Kyung; Lee, So-Mi Canadian Journal of Chemistry, 1998 , vol. 76, # 6 p. 729 - 737

 Customs

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Hippuric acid,p-nitro
MFCD00007349
4-Nitrohippuric acid
EINECS 220-156-5
p-nitrohippuric acid
4-nitro-hippuric acid
p-Nitrobenzoylglycine