2-フルオロベンゾイル クロリド

2-Fluorobenzoyl chloride

HCID 9808CAS 393-52-2

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

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

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 · 2 件

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 · 2 件

180 °F (NTP, 1992)

180 °F

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

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 · 4 件

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 · 2 件

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 · 1 件

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

安全と保護具

Fire Fighting · 1 件

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 · 1 件

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 · 1 件

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 · 1 件

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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Non-Human Toxicity Excerpts/GENOTOXICITY/ Negative in the Ames salmonella assay using strains TA 98, TA 100, TA 1535, TA 1537 at 10-666 ug/plate with rat, liver, S-9, aroclor 1254.
Non-Human Toxicity ValuesLD50 Mouse iv 100 mg/kg

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

化学と産業

用途と製造

Uses · 2 件

Used to make flunitrazepam, a hypnotic drug; [HSDB]

Chem intermediate for flunitrazepam, a hypnotic drug

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) 4.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1978) 5.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 2 件

(1977) No Data

(1979) No Data

Consumption PatternsEssentially 100% as a chemical intermediate
Methods of ManufacturingReaction of 2-fluorobenzoic acid with thionyl chloride

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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