CAS 645-09-0 3-Nitrobenzamide (HCID 12576)

概要

M-nitrobenzamide is a yellow powder. (NTP, 1992)

名称と識別子

優先名称: 3-Nitrobenzamide
IUPAC: 3-nitrobenzamide
現地名: 3-ニトロベンズアミド
英語名: 3-Nitrobenzamide
分子式: C7H6N2O3
分子量: 166.13

名称と別名

3-NitrobenzamideM-NITROBENZAMIDEBenzamide, 3-nitro-DTXSID5025732EINECS 211-431-0NSC 37327BRN 0777185DTXCID605732RefChem:950183-NITROBENZOIC ACID, AMIDE211-431-04-09-00-01061 (Beilstein Handbook Reference)

名称をさらに表示

3-ニトロベンズアミドm-ニトロベンズアミド3‐ニトロベンズアミド3-nitro-benzamidN-nitrobenzamidem-nitro-benzamid3-Nitrobenzamide>Benzamide, m-nitro-3-Nitrobenzamide,98%

KWAYEPXDGHYGRW-UHFFFAOYSA-N645-09-0Benzamide, m-nitro-MFCD000079843-Nitro-benzamideKMU7X7KT5TCHEMBL338567NSC-37327

データベース識別子

CAS: 645-09-0
PubChem CID: 12576
DTXSID: DTXSID5025732
ChEMBL: CHEMBL338567
UNII: KMU7X7KT5T
EC Number: 211-431-0
Nikkaji: J96.213I

物性

構造計算による物性

XLogP: 0.8
極性表面積: 88.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 199

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP0.77

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)

Boiling Point590 to 599 °F at 760 mmHg (NTP, 1992)

Melting Point288.9 °F (NTP, 1992)

Physical DescriptionM-nitrobenzamide is a yellow powder. (NTP, 1992)

物理化学的性質

融点: 140 · 140-143 °C (lit.)
沸点: 312.55 °C · 312.55°C
比重(密度): 1.4994 · 1.4994 (rough estimate)
屈折率: 1.588 · 1.5880 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: 結晶性粉末または結晶
酸解離定数(Pka): 14.86 · 14.86±0.50(Predicted)
色: 黄色
BRN: 777185 · 777185
安定性: 安定。可燃性。強力な酸化剤とは相容れない。
InChI: InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
InChIKey: KWAYEPXDGHYGRW-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=CC([N+]([O-])=O)=C1
CAS データベース: 645 · 645-09-0(CAS DataBase Reference)
EPAの化学物質情報: m-Nitrobenzamide (645-09-0)

化学的性質

化学的特性yellow powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)

Reactive GroupAmides and Imides

Reactivity Profile · 1 件

A nitrated amide. 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 ReactionsInsoluble in water.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingFires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (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: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate 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)