N-4-Nitrobenzoylglycin

4-Nitrohippuric acid

HCID 17549

Grundinformationen

CAS
2645-07-0
Standard-SMILES
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
XCMUCRMMVDSVEL-UHFFFAOYSA-N
Summenformel
C9H8N2O5
Durchschnittliche Molmasse
224,17 g/mol
Monoisotopische Masse
224,04332136

Überblick

4-nitrohippuric acid is a yellow powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
4-Nitrohippuric acid
IUPAC
2-[(4-nitrobenzoyl)amino]acetic acid
Lokaler Name
N-4-Nitrobenzoylglycin
Englischer Name
4-Nitrohippuric acid
Summenformel
C9H8N2O5
Molmasse
224.17

Namen und Synonyme

4-Nitrohippuric acid2645-07-0N-(4-Nitrobenzoyl)glycineGlycine, N-(4-nitrobenzoyl)-P-NITROHIPPURIC ACIDN-(p-Nitrobenzoyl)glycine4-NitrobenzoylglycineHippuric acid, p-nitro-Glycine, N-(p-nitrobenzoyl)-DTXSID80257599HIU46T98MNSC-33334
Weitere Namen anzeigen
NSC33334NSC 33334SBB004564ST5308390CCRIS 6077BRN 1125394TLC0873-0006Oprea1_067067EINECS 220-156-5p-nitro-hippuricaci
DTXCID005759para-nitrohippuric acidRefChem:100070220-156-52-(4-Nitrobenzamido)acetic acidp-Nitrobenzoylglycine2-[(4-nitrobenzoyl)amino]acetic acidMFCD00007349

Datenbank-Bezeichner

CAS
2645-07-0
PubChem CID
17549
DTXSID
DTXSID8025759
ChEMBL
CHEMBL8682
UNII
9HIU46T98M
EC Number
220-156-5
Nikkaji
J24.946G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,4
Polarare Oberfläche (TPSA)
112 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

Solubility1 to 5 mg/mL at 72 °F (NTP, 1992)
Melting Point268 to 271 °F (NTP, 1992)
Physical Description4-nitrohippuric acid is a yellow powder. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
131 · 131-133 °C(lit.)
Siedepunkt
365.56 °C · 365.56°C (rough estimate)
Dichte
1.4656 · 1.4656 (rough estimate)
Brechungsindex
1.557 · 1.5570 (estimate)
storage temp.
2 · Storage temp. 2-8°C
pka
3.31 · 3.31±0.10(Predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 Eintrag

A nitrated amide and organic acid. Acts as a weak acid in aqueous solution. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsSlightly soluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
hs_code
29242990
RTECS-Nr.
MC0785000
safety_code
24/25

Chemie und Industrie

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