4-クロロ-3-フルオロベンジルブロミド

4-(Bromomethyl)-1-chloro-2-fluorobenzene

HCID 2783136

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 206362-80-3
標準SMILES: Fc1cc(CBr)ccc1Cl
InChIKey: CNUYBEIHDWMLSD-UHFFFAOYSA-N
分子式: C7H5BrClF
平均分子量: 223.47 g/mol
単同位体質量: 221.92472

名称と識別子

優先名称: 4-(Bromomethyl)-1-chloro-2-fluorobenzene
IUPAC: 4-(bromomethyl)-1-chloro-2-fluorobenzene
現地名: 4-クロロ-3-フルオロベンジルブロミド
英語名: 4-Chloro-3-fluorobenzyl Bromide
分子式: C7H5BrClF
分子量: 223.47

名称と別名

206362-80-34-(bromomethyl)-1-chloro-2-fluorobenzeneRefChem:515312675-117-94-Chloro-3-fluorobenzyl bromide3-Fluoro-4-chlorobenzyl bromideBenzene, 4-(bromomethyl)-1-chloro-2-fluoro-MFCD041158594-chloro-3-fluorobenzylbromide3-fluoro-4-chlorobenzylbromidealpha-Bromo-4-chloro-3-fluorotoluene4-Chloro-3 Fluoro benzyl bromide

名称をさらに表示

4-クロロ-3-フルオロベンジルブロミド1-(ブロモメチル)-4-クロロ-3-フルオロベンゼンα-ブロモ-4-クロロ-3-フルオロトルエンCAS:206362-80-34-Chloro-3-fluorobenzylbromide97%4-Chloro-3-fluorobenzyl Bromide >4-Chloro-3-fluorobenzyl bromide 97%1-(Bromomethyl)-4-chloro-3-fluorobenzeneREF DUPL: 4-Chloro-3-fluorobenzyl bromide

SCHEMBL119714SCHEMBL29357072DTXSID80382452CNUYBEIHDWMLSD-UHFFFAOYSA-NSBB070822AKOS005063876AC-7448CS-W007540

データベース識別子

CAS: 206362-80-3
PubChem CID: 2783136
DTXSID: DTXSID80382452
EC Number: 675-117-9

物性

構造計算による物性

XLogP: 3.2
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: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 30 · 30-33℃
沸点: 227.1 · 227.1±25.0 °C(Predicted)
比重(密度): 1.654 · 1.654±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to lump
色: White to Light yellow to Light orange
InChI: 1S/C7H5BrClF/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey: CNUYBEIHDWMLSD-UHFFFAOYSA-N
SMILES: Fc1cc(CBr)ccc1Cl
CAS データベース: 206362 · 206362-80-3(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H290 (11.1%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 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

Hazard Classes and CategoriesMet. Corr. 1 (11.1%)；Acute Tox. 4 (22.2%)；Acute Tox. 4 (11.1%)；Skin Corr. 1B (77.8%)；Skin Irrit. 2 (11.1%)；Eye Dam. 1 (22.2%)；Eye Irrit. 2 (11.1%)；Acute Tox. 4 (11.1%)；STOT SE 3 (11.1%)