3-Fluorobenzoyl chloride (HCID 74376)

名称と識別子

優先名称: 3-Fluorobenzoyl chloride
IUPAC: 3-fluorobenzoyl chloride
現地名: 3-フルオロベンゾイルクロリド
英語名: 3-Fluorobenzoyl chloride
分子式: C7H4ClFO
分子量: 158.56

名称と別名

3-Fluorobenzoyl chlorideBenzoyl chloride, 3-fluoro-3-Fluorobenzoxyl chlorideEINECS 216-977-3NSC 88315meta-Fluorobenzoyl chlorideDTXSID5061906RefChem:93951DTXCID7035480216-977-3SYVNVEGIRVXRQH-UHFFFAOYSA-N1711-07-5

名称をさらに表示

3-フルオロベンゾイルクロリド3-フルオロベンゾイルクロライド3フルオロベンゾイルクロライド塩化3-フルオロベンゾイル3-フルオロベンゾイルクロリド3‐フルオロベンゾイルクロリドm-FluorobenzoylAKOS BBS-000039153-Fluorobenzoyl chlofluorobenzoylchloride3-fluoro-benzoylchlorid3-Fluorobenzoylchloride98%3-FluorobenzoylChloride>

m-Fluorobenzoyl chloride3-fluorobenzoylchlorideMFCD00000670Benzoyl chloride, m-fluoro-m-Fluorobenzoic acid chloride3-fluorobenzoic acid chlorideYP3X7K7SYBNSC-88315

データベース識別子

CAS: 1711-07-5
PubChem CID: 74376
DTXSID: DTXSID5061906
UNII: YP3X7K7SYB
EC Number: 216-977-3
Nikkaji: J143K

物性

構造計算による物性

XLogP: 3.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
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

物理化学的性質

融点: -30 °C · -30 °C (lit.)
沸点: 189 °C · 189 °C (lit.)
比重(密度): 1.304 g/mL · 1.304 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.529(lit.)
闪点: 180 °F · 180 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 液体
色: 無色透明～薄黄色
BRN: 636610 · 636610
InChI: InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=CC(F)=C1
CAS データベース: 1711 · 1711-07-5(CAS DataBase Reference)
NISTの化学物質情報: 3 · Benzoyl chloride, 3-fluoro-(1711-07-5)
EPAの化学物質情報: 3 · Benzoyl chloride, 3-fluoro- (1711-07-5)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.；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

Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

法規制情報

Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29163900
risk_code: 34-37-36/37-14
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-28A-27
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzoyl chloride, 3-fluoro-: ACTIVE

応用分野 · 1 件

使用3-Fluorobenzoyl chloride was used in synthesis of 4-[18F]fluoro-N-[2-[1-(2-methoxyphenyl)-1-piperazinyl]ethyl-N-2-pyridinyl-benzamide by radiosynthesis. It was also used as reagent in one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol-5-yl)amides. It was used in three phase hollow fiber liquid-phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.