2-Fluorobenzamide (HCID 67964)

名称と識別子

優先名称: 2-Fluorobenzamide
IUPAC: 2-fluorobenzamide
現地名: 2-フルオロベンズアミド
英語名: 2-Fluorobenzamide
分子式: C7H6FNO
分子量: 139.13

名称と別名

2-Fluorobenzamide445-28-3Benzamide, 2-fluoro-Benzamide, o-fluoro-HM4GB9599UDTXSID4075407RefChem:87143DTXCID0040337207-157-6o-FluorobenzamideMFCD00007970ortho-Fluorobenzamide

名称をさらに表示

2-フルオロベンズアミド2-フルオロベンゼンカルボアミドo-フルオロベンズアミドBenzamide, 2-fLo-fluoro-benzamid2-fluoro-benzamid2-Fluorobenzamide>ortho-Fluorobenzamide2-Fluorobenzamide,98%LABOTEST-BB LT00848244

o-Fluorobenzoic acid amideBRN 2325863EINECS 207-157-6fluorobenzamidefluorobenzene-carboxamide2-Fluorobenzamide, 98%2-carbamoyl-1-fluorobenzeneA1CT0

データベース識別子

CAS: 445-28-3
PubChem CID: 67964
DTXSID: DTXSID4075407
ChEMBL: CHEMBL121910
UNII: HM4GB9599U
EC Number: 207-157-6
Nikkaji: J149.989K

物性

構造計算による物性

XLogP: 0.6
極性表面積: 43.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

実験および物理化学的性質

Vapor Pressure0.00109 [mmHg]

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 117 · 117-119 °C (lit.)
沸点: 238.4 · 238.4±23.0 °C(Predicted)
比重(密度): 1.2099 · 1.2099 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Slightly), DMSO (Slightly)
外見: powder to crystal
酸解離定数(Pka): 15.27 · 15.27±0.50(Predicted)
色: White to Almost white
BRN: 2325863 · 2325863
InChI: InChI=1S/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey: KGGHWIKBOIQEAJ-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=CC=C1F
CAS データベース: 445 · 445-28-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzamide, 2-fluoro-(445-28-3)
EPAの化学物質情報: 2 · Benzamide, 2-fluoro- (445-28-3)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzamide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
rtecs: CV4953333
hs_code: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明2-Fluorobenzamide inhibits the activity of poly(ADP-ribose) synthetase in vitro. It undergoes coupling with anilines in the presence of lithium amides to yield N-arylanthranilamides.