플로로(2-)벤조일
2-Fluorobenzoyl chloride
기본 정보
- CAS
393-52-2- 표준 SMILES
O=C(Cl)c1ccccc1F- InChIKey
RAAGZOYMEQDCTD-UHFFFAOYSA-N- 분자식
- C7H4ClFO
- 평균 분자량
- 158.56 g/mol
- 단동위원소 질량
- 157.99347065
개요
2-fluorobenzoyl chloride is a colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Fluorobenzoyl chloride
- IUPAC
- 2-fluorobenzoyl chloride
- 현지명
- 플로로(2-)벤조일
- 영어명
- 2-Fluorobenzoyl chloride
- 분자식
- C7H4ClFO
- 분자량
- 158.56
이름 및 동의어
2-FLUOROBENZOYL CHLORIDEo-Fluorobenzoyl chlorideBenzoyl chloride, 2-fluoro-Benzoyl chloride, o-fluoro-CCRIS 5914DTXSID3025330HSDB 4261EINECS 206-887-2NSC 88304UNII-Z4H017N76SBRN 0636864Z4H017N76S
이름 더 보기
플로로(2-)벤조일2-염화플로로벤조일SKL751uorobenzoyL2-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]
데이터베이스 식별자
- CAS
393-52-2- PubChem CID
- 9808
- DTXSID
DTXSID3025330- ChEMBL
CHEMBL1606202- UNII
- Z4H017N76S
- EC Number
- 206-887-2
- Nikkaji
- J44B
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 138
실험 및 물리화학적 성질
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 Index
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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
화학 및 산업
용도 및 제조
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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