2-フルオロベンゾイル クロリド
2-Fluorobenzoyl chloride
基本情報
- CAS
393-52-2- 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
2-FLUOROBENZOYL CHLORIDEo-Fluorobenzoyl chlorideBenzoyl chloride, 2-fluoro-Benzoyl chloride, o-fluoro-CCRIS 5914DTXSID3025330HSDB 4261EINECS 206-887-2NSC 88304UNII-Z4H017N76SBRN 0636864Z4H017N76S
名称をさらに表示
2-フルオロベンゾイル クロリドo-フルオロベンゾイルクロリド2-フルオロベンゾイルクロリド2-フルオロ安息香酸クロリド2-フルオロベンゾイルクロライド塩化2フルオロベンゾイル塩化2-フルオロベンゾイル 塩化物塩化2-フルオロベンゾイル2‐フルオロベンゾイルクロリドSKL751uorobenzoyL2-Fluorobenzoylo-FluorobenzoylAKOS BBS-00003920Ataluren impurity D2-Fluorobenzoyl chlo2-Fluorbenzoylchlorid
NSC-88304ortho-Fluorobenzoyl chlorideDTXCID005330RAAGZOYMEQDCTD-UHFFFAOYSA-EC 206-887-24-09-00-00951 (Beilstein Handbook Reference)2-FLUOROBENZENECARBONYL CHLORIDE2-FLUOROBENZOYL CHLORIDE [HSDB]
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
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density
1.304 at 68 °F (NTP, 1992) - Denser than water; will sink
1.328 g/cu cm at 25 °C
Color/FormLiquid
SolubilityDecomposes (NTP, 1992)
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
DecompositionWhen heated to decomposition it emits toxic fumes of /hydrogen chloride and hydrogen flouride/.
Melting Point
39 °F (NTP, 1992)
4 °C
Vapor Pressure0.46 [mmHg]
Refractive IndexIndex of refraction: 1.5365 at 20 °C/D
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
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
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include strong irritation of the skin, eyes and mucous membranes, lachrymation and corrosion of tissues.
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]
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsWater-Reactive
Reactivity Profile
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
Consumption PatternsEssentially 100% as a chemical intermediate
Methods of ManufacturingReaction of 2-fluorobenzoic acid with thionyl chloride
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/
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