3-Fluorobenzyl chloride (HCID 9974)

名称と識別子

優先名称: 3-Fluorobenzyl chloride
IUPAC: 1-(chloromethyl)-3-fluorobenzene
現地名: 3-フルオロベンジルクロリド
英語名: 3-Fluorobenzyl chloride
分子式: C7H6ClF
分子量: 144.57

名称と別名

3-Fluorobenzyl chloride456-42-81-(Chloromethyl)-3-fluorobenzeneM-FLUOROBENZYL CHLORIDEBenzene, 1-(chloromethyl)-3-fluoro-3-Fluorobenzylchloride1-Chloromethyl-3-fluoro-benzeneToluene, .alpha.-chloro-m-fluoro-MFCD00000904.alpha.-Chloro-m-fluorotoluene.alpha.-Chloro-3-fluorotoluene3-(chloromethyl)-1-fluorobenzene

名称をさらに表示

3-フルオロベンジルクロリド3-フルオロベンジルクロライド3フルオロベンジルクロライド塩化3-フルオロベンジル3-フルオロベンジルクロリド1-(クロロメチル)-3-フルオロベンゼンM-フルオロベンジルクロリドFluorobenzyl3-Benzyl3-CFC-benzyl3-FluorobenzylAKOS BBS-00003858Chlorobenzyl fluorideFLUOROBENZYL-3 CHLORIDEMizolastine Impurity 34

NSC-60720alpha-Chloro-3-fluorotoluenealpha-Chloro-m-fluorotoluene1-(chloromethyl)-3-fluoro-benzeneEINECS 207-264-8NSC 607203-flurobenzylchloridem-fluorobenzylchloride

データベース識別子

CAS: 456-42-8
PubChem CID: 9974
DTXSID: DTXSID4060026
UNII: DXT56E2KBP
EC Number: 207-264-8、925-883-8
Nikkaji: J59K

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 85

実験および物理化学的性質

Vapor Pressure0.99 [mmHg]

Physical DescriptionColorless liquid with a pungent odor; [Alfa Aesar MSDS]

Kovats Retention Index987.1；987.1；1000

物理化学的性質

融点: 34.5 · 34.5-36 °C
沸点: 176 · 176-177 °C
比重(密度): 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.511(lit.)
闪点: 138 °F · 138 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 40 g/リットル · 40g/リットル
外見: clear liquid
色: Colorless to Light yellow
比重: 1.194 · 1.194
水溶解度: 40 g/L · 40g/L(20℃)
BRN: 742265 · 742265
InChI: 1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey: XBDXMDVEZLOGMC-UHFFFAOYSA-N
SMILES: Fc1cc(ccc1)CCl
LogP: 2.77 · 2.77
CAS データベース: 456 · 456-42-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-(chloromethyl)-3-fluoro-(456-42-8)
EPAの化学物質情報: 1 · Benzene, 1-(chloromethyl)-3-fluoro- (456-42-8)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information · 3 件

Chemical: Benzene, 1-(chloromethyl)-3-fluoro-

Status: Active Update: 02-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24765

3-Fluorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Skin Corr. 1B (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 3 件

Chemical: Benzene, 1-(chloromethyl)-3-fluoro-

Status: Active Update: 02-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24765

3-Fluorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29036990
risk_code: 34-37
消防法: 危-4-2-III
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-(chloromethyl)-3-fluoro-: INACTIVE

応用分野

用途有機合成原料。

上流・下流製品情報

上流原料

下流製品

1-(ジクロロメチル)-3-フルオロベンゼン 3-フルオロベンジルシアニド 3-フルオロベンジルアルコール Benzenepropanenitrile, 3-fluoro-α,α-dimethyl-Benzenepropanal, 3-fluoro-α,α-dimethyl-N-(3-fluorobenzyl)ethane-1,2-diamine 3-Fluorobenzylzinc chloride 2-[(3-フルオロベンジル)チオ]エタノール

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Syntechem Co.,Ltd[email protected]

3-フルオロベンジルクロリド

基本情報