基本情報
- 標準SMILES
O=C(Cl)c1ccccc1F- InChIKey
RAAGZOYMEQDCTD-UHFFFAOYSA-N- 分子式
- C7H4ClFO
- 平均分子量
- 158.56 g/mol
- 単同位体質量
- 157.99347065
概要
2-fluorobenzoyl chloride is a colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Fluorobenzoyl chloride
- IUPAC
- 2-fluorobenzoyl chloride
- 現地名
- 2-フルオロベンゾイル クロリド
- 英語名
- 2-Fluorobenzoyl chloride
- 分子式
- C7H4ClFO
- 分子量
- 158.56
名称と別名
名称をさらに表示
データベース識別子
- CAS
393-52-2- PubChem CID
- 9808
- DTXSID
DTXSID3025330- ChEMBL
CHEMBL1606202- UNII
- Z4H017N76S
- EC Number
- 206-887-2
- Nikkaji
- J44B
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 17.1 Ų
- 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
実験および物理化学的性質
Density
1.304 at 68 °F (NTP, 1992) - Denser than water; will sink
1.328 g/cu cm at 25 °C
Flash Point
180 °F (NTP, 1992)
180 °F
Boiling Point
403 °F at 760 mmHg (NTP, 1992)
206 °C
Boiling point = 90-92 °C at 15 mm Hg
Melting Point
39 °F (NTP, 1992)
4 °C
Physical Description
2-fluorobenzoyl chloride is a colorless liquid. (NTP, 1992)
Colorless liquid; [CAMEO]
物理化学的性質
- 融点
- 4 °C · 4 °C (lit.)
- 沸点
- 90 · 90-92 °C/15 mmHg (lit.)
- 比重(密度)
- 1.328 g/mL · 1.328 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.536(lit.)
- 闪点
- 180 °F · 180 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- クロロホルム(わずかに)
- 外見
- 液体
- 比重
- 1.328 · 1.328
- 色
- 無色透明~微有色
- 水溶解度
- 分解
- BRN
- 636864 · 636864
- InChI
- 1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
- InChIKey
- RAAGZOYMEQDCTD-UHFFFAOYSA-N
- SMILES
- Fc1ccccc1C(Cl)=O
- CAS データベース
- 393 · 393-52-2(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Benzoyl chloride, 2-fluoro-(393-52-2)
- EPAの化学物質情報
- o-Fluorobenzoyl chloride (393-52-2)
化学的性質
化学的特性clear colorless to faintly colored liquid
安全と法規制
GHS分類
GHS Classification
Danger
H290 (66.9%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 23-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26418
2-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A strong skin, eye, and mucous membrane irritant; A corrosive substance that causes lacrimation; [CAMEO] Corrosive; Causes burns; Reacts violently with water; May cause chemical pneumonitis after inhalation of high concentrations; [MSDSonline]
Reactivity Profile
2-FLUOROBENZOYL CHLORIDE is sensitive to moisture. Incompatible with water, alcohol, bases (including amines) and with oxidizing agents (NTP, 1992). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
安全と保護具
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
First Aid
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
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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.
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
毒性情報
安全データ
- F
- 10-19-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DM6640000
- 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
- Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
- 有毒物質データの
- 393-52-2(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used to make flunitrazepam, a hypnotic drug; [HSDB]
Chem intermediate for flunitrazepam, a hypnotic drug
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) 4.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1978) 5.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1977) No Data
(1979) No Data
General Manufacturing Information
Benzoyl chloride, 2-fluoro-: ACTIVE
Rohypnol is legally manufactured by Hoffmann-LaRoche outside the U.S. ... Much of the concern surrounding Rohypnol is its abuse as a "date rape" drug. ... It has been used throughout the United States by high school and college students, street gang members, rave and nightclub attendees, drug addicts, and alcohol abusers. ... Rohypnol is not approved for manufacture or sale within the United States. ... As a result of the 1971 United Nations Convention on Psychotropic Substances, the United States placed Rohypnol under Schedule IV of the Controlled Substances Act in 1984. Rohypnol is not approved for manufacture or sale within the United States. ... By March 1995, the United Nations Commission on Narcotic Drugs had transferred Rohypnol from a Schedule IV to a Schedule III drug. ... In response to Rohypnol abuse and use of the drug to facilitate sexual assaults, the U.S. Congress passed the Drug Induced Rape Prevention and Punishment Act, effective October 13, 1996. ... In 1997, penalties for possession, trafficking, and distribution of Rohypnol were further increased by the U.S. Sentencing Commission's Federal Sentencing Guidelines to those of a Schedule I substance because of growing abuse of the drug. /Flunitrazepam/
応用分野
使用2-Fluorobenzoyl Chloride (cas# 393-52-2) is a compound useful in organic synthesis.
一般的な説明Colorless liquid.
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