4-ニトロベンズアミド

4-Nitrobenzamide

HCID 12091

基本情報

CAS
619-80-7
標準SMILES
NC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
ZESWUEBPRPGMTP-UHFFFAOYSA-N
分子式
C7H6N2O3
平均分子量
166.13 g/mol
単同位体質量
166.03784205

概要

P-nitrobenzamide is a white powder. (NTP, 1992)

名称と識別子

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

名称と別名

4-NITROBENZAMIDEp-NitrobenzamideBenzamide, 4-nitro-4-nitro-benzamideDTXSID8022086NSC 2902EINECS 210-613-7AI3-01346DTXCID002086RefChem:1000394-NITROBENZOIC ACID, AMIDE210-613-7
名称をさらに表示
4-ニトロベンズアミドp-ニトロベンズアミド4ニトロベンズアミド4‐ニトロベンズアミドNitrobenzaMidep-nitro-benzamid4-nitro-benzamidBenzamide,4-nitro-Benzamide,p-nitro-TIMTEC-BB SBB0082014-Nitrobenzamide>
ZESWUEBPRPGMTP-UHFFFAOYSA-N619-80-7Benzamide, p-nitro-MFCD00007994NSC-2902p-Nitrobenzamide, 98%4-Nitrobenzamide, 98%NITROBENZAMIDE, P-

データベース識別子

CAS
619-80-7
PubChem CID
12091
DTXSID
DTXSID8022086
ChEMBL
CHEMBL1483601
UNII
683NB4HAX7
EC Number
210-613-7
Nikkaji
J62.020C

物性

構造計算による物性

XLogP
0.8
極性表面積
88.9 Ų
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

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift
LogP0.82
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Melting Point394 to 399 °F (NTP, 1992)
Physical DescriptionP-nitrobenzamide is a white powder. (NTP, 1992)

物理化学的性質

融点
199 · 199-201 °C(lit.)
沸点
294.32 °C · 294.32°C (rough estimate)
比重(密度)
1.4334 · 1.4334 (rough estimate)
屈折率
1.588 · 1.5880 (estimate)
酸解離定数(Pka)
15.02 · 15.02±0.50(Predicted)
外見
powder to crystal

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (71.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26217
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. 3 (71.7%)

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)

安全データ

wgk
3
tsca
TSCA listed
rtecs
CV5601000
hs_code
29242990
risk_code
23/24/25-22-20/21/22
化審法
(3)-1508

化学と産業

用途と製造

General Manufacturing InformationBenzamide, 4-nitro-: ACTIVE

応用分野

使用4-Nitrobenzamide was used in the preparation of 4-nitrobenziminosulfurane.

一般的な説明White powder.

サプライヤー19 社

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陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

関連反応

36 件

化合物ノート

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