N-(4-ニトロベンゾイル)グリシン

4-Nitrohippuric acid

HCID 17549

基本情報

CAS
2645-07-0
標準SMILES
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
XCMUCRMMVDSVEL-UHFFFAOYSA-N
分子式
C9H8N2O5
平均分子量
224.17 g/mol
単同位体質量
224.04332136

概要

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

名称と識別子

優先名称
4-Nitrohippuric acid
IUPAC
2-[(4-nitrobenzoyl)amino]acetic acid
現地名
N-(4-ニトロベンゾイル)グリシン
英語名
4-Nitrohippuric acid
分子式
C9H8N2O5
分子量
224.17

名称と別名

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
名称をさらに表示
N-(4-ニトロフェニルカルボニル)グリシンp-ニトロベンゾイルグリシンN-(p-ニトロベンゾイル)グリシン(p-ニトロベンゾイルアミノ)酢酸(4-ニトロベンゾイルアミノ)酢酸N-(4-ニトロベンゾイル)グリシン4-ニトロ馬尿酸2-[(4-ニトロフェニル)ホルムアミド]酢酸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

データベース識別子

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

物性

構造計算による物性

XLogP
-0.4
極性表面積
112 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
3
重原子数
16

実験および物理化学的性質

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)

物理化学的性質

融点
131 · 131-133 °C(lit.)
沸点
365.56 °C · 365.56°C (rough estimate)
比重(密度)
1.4656 · 1.4656 (rough estimate)
屈折率
1.557 · 1.5570 (estimate)
貯蔵温度
2 · Storage temp. 2-8°C
酸解離定数(Pka)
3.31 · 3.31±0.10(Predicted)

化学的性質

化学的特性YELLOW GRANULES

安全と法規制

危険有害性情報

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

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.

安全と保護具

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

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 件

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 件

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)

安全データ

wgk
3
rtecs
MC0785000
hs_code
29242990
safety_code
24/25

化学と産業

応用分野

一般的な説明Yellow powder.

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