3-ブロモ-4-フルオロ桂皮酸臭化物

3-(3-Bromo-4-fluorophenyl)-2-propenoic acid

HCID 688311

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 160434-49-1
標準SMILES: O=C(O)C=Cc1ccc(F)c(Br)c1
InChIKey: ZNIGVADAKXOMQH-UHFFFAOYSA-N
分子式: C9H6BrFO2
平均分子量: 245.04 g/mol
単同位体質量: 243.95352

名称と識別子

優先名称: 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
IUPAC: 3-(3-bromo-4-fluorophenyl)prop-2-enoic acid
現地名: 3-ブロモ-4-フルオロ桂皮酸臭化物
英語名: 3-Bromo-4-fluorocinnamic acid
分子式: C9H6BrFO2
分子量: 245.05

名称と別名

DTXSID4012619203-(3-BROMO-4-FLUOROPHENYL)-2-PROPENOIC ACIDRefChem:491766DTXCID101692611160434-49-13-(3-bromo-4-fluorophenyl)prop-2-enoic acid3-(3-bromo-4-fluoro-phenyl)prop-2-enoic Acid(E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoic acidSCHEMBL290719ZNIGVADAKXOMQH-UHFFFAOYSA-NAKOS0281100843-(3-bromo-4-fluorophenyl)acrylic acid

名称をさらに表示

3-ブロモ-4-フルオロ桂皮酸臭化物3-ブロモ-4-フルオロけい皮酸3‐ブロモ‐4‐フルオロけい皮酸3-ブロモ-4-フルオロ桂皮酸CAS:160434-49-1TIMTEC-BB SBB003187RARECHEM BK HW 01933-Bromo-4-fluorociamicacid3-Bromo-4-fluorocinnamic acid3-Bromo-4-fluorocinnamicacid99%3-Bromo-4-fluorocinnamic acid 99%3-BROMO-4-FLUOROCINNAMIC ACID USP/EP/BP(E)-3-(3-bromo-4-fluorophenyl)acrylic acid

3-(3-Bromo-4-fluoro-phenyl)-acrylic acidDB-043457

データベース識別子

CAS: 160434-49-1
PubChem CID: 688311
DTXSID: DTXSID401261920
EC Number: 605-209-6

物性

構造計算による物性

XLogP: 2.7
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 218

物理化学的性質

融点: 189 · 189-192 °C
沸点: 337.4 · 337.4±32.0 °C(Predicted)
比重(密度): 1.6228 · 1.6228 (rough estimate)
屈折率: 1.424 · 1.4240 (estimate)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 4.25 · 4.25±0.10(Predicted)
BRN: 8977970 · 8977970
CAS データベース: 160434 · 160434-49-1(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 28A-26

化学と産業

上流・下流製品情報

上流原料

3-ブロモ-4-フルオロベンズアルデヒドマロン酸

サプライヤー81 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

化合物ノート

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