4-Fluorobenzyl chloride (HCID 9602)

名称と識別子

優先名称: 4-Fluorobenzyl chloride
IUPAC: 1-(chloromethyl)-4-fluorobenzene
現地名: 4-フルオロベンジルクロリド
英語名: 4-Fluorobenzyl chloride
分子式: C7H6ClF
分子量: 144.57

名称と別名

4-Fluorobenzyl chloride352-11-4Benzene, 1-(chloromethyl)-4-fluoro-DTXSID70598504FBCl cpdRefChem:562388DTXCID1038955206-516-41-(Chloromethyl)-4-fluorobenzeneP-FLUOROBENZYL CHLORIDEalpha-Chloro-p-fluorotoluene1-Chloromethyl-4-fluoro-benzene

名称をさらに表示

4-フルオロベンジルクロリド4-フルオロ-1-(クロロメチル)ベンゼンp-フルオロベンジルクロリド1-クロロメチル-4-フルオロベンゼン1-(クロロメチル)-4-フルオロベンゼン1-フルオロ-4-(クロロメチル)ベンゼンα-クロロ-4-フルオロトルエン4-フルオロベンジルクロライド4フルオロベンジルクロライド塩化4-フルオロベンジル塩化物塩化4-フルオロベンジル塩化4‐フルオロベンジルJACS-352-11-4Benzyl for CFCsAKOS BBS-00003856p-Fluorbenzylchloridalpha-Chloro-p-fluorFluorobenzyl chloridp-fluorochlorobenzyl-Chloro-p-fluorotoluene

1-Chloromethyl-4-fluorobenzene4-fluorobenzylchlorideMFCD00000913alpha-Chloro-4-fluorotoluene4-(chloromethyl)-1-fluorobenzeneToluene, .alpha.-chloro-p-fluoro-4-Fluorobenzyl--d4 ChlorideEINECS 206-516-4

データベース識別子

CAS: 352-11-4
PubChem CID: 9602
DTXSID: DTXSID7059850
EC Number: 206-516-4
Nikkaji: J36A

物性

構造計算による物性

XLogP: 2.6
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: 77

実験および物理化学的性質

Vapor Pressure0.99 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index989.6；989.6

物理化学的性質

融点: -18 °C · -18 °C
沸点: 82 °C26 · 82 °C26 mm Hg(lit.)
比重(密度): 1.207 g/mL · 1.207 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.513(lit.)
闪点: 141 °F · 141 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（わずかに）、ヘキサン（わずかに）
外見: 粉末または結晶
比重: 1.207 · 1.207
色: 黄色
爆発限界(explosive limit): 1.3 % · 1.30%(V)
水溶解度: 417 mg/L · 417mg/L(温度記載なし)
BRN: 742272 · 742272
InChI: 1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey: IZXWCDITFDNEBY-UHFFFAOYSA-N
SMILES: Fc1ccc(CCl)cc1
CAS データベース: 352 · 352-11-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-(chloromethyl)-4-fluoro-(352-11-4)
EPAの化学物質情報: 1 · Benzene, 1-(chloromethyl)-4-fluoro- (352-11-4)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (19.7%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (18%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 8 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 Information4-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; [Sigma-Aldrich MSDS] See 2-Chlorobenzyl chloride.

Hazard Classes and CategoriesFlam. Liq. 3 (19.7%)；Acute Tox. 3 (18%)；Acute Tox. 4 (14.8%)；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 Information4-Fluorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 19
wgk: 2
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29036990
risk_code: 34-22
消防法: 危-4-2-III
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-(chloromethyl)-4-fluoro-: ACTIVE

応用分野

使用p-Fluorobenzyl Chloride is a chemical intermediate in the synthesis of various pharmaceutical and agricultural goods.

上流・下流製品情報

上流原料

Benzene, 1,1'-[oxybis(methylene)]bis[4-fluoro-3,5-ジクロロ-2,4,6-トリフルオロ安息香酸

下流製品

1-(4-フルオロベンジル)-1,4-ジアゼパン 3-(4-フルオロフェニル)プロピオン酸 4-(4-フルオロベンジルオキシ)ベンズアルデヒド 2-フルオロ-6-メチルナフタレン, IN ISOOCTANE (100ΜG/ML)4-フルオロ-L-フェニルアラニン 2-フルオロベンジルクロリド 1-(4-フルオロフェニル)-2-メチル-2-アミノプロパン 4-フルオロ-N-メチルベンジルアミン 1-[(4-fluorophenyl)methyl]imidazole Benzenepropanal, 4-fluoro-α,α-dimethyl-1-(4-fluorobenzyl)piperidin-3-ol

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4-フルオロベンジルクロリド

基本情報