3,4,5-Trifluorocinnamic acid

HCID 5708779
ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS
152152-19-7
標準SMILES
O=C(O)/C=C/c1cc(F)c(F)c(F)c1
InChIKey
PHIWFMZBVZFEQJ-OWOJBTEDSA-N
分子式
C9H5F3O2
平均分子量
202.13 g/mol
単同位体質量
202.02416388

名称と識別子

優先名称
3,4,5-Trifluorocinnamic acid
IUPAC
(E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid

名称と別名

3,4,5-Trifluorocinnamic acidRefChem:485711622-517-6331245-88-6(2E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid(E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid(E)-3-(3,4,5-trifluorophenyl)acrylic acidTRANS-3,4,5-TRIFLUOROCINNAMIC ACIDSCHEMBL584606PHIWFMZBVZFEQJ-OWOJBTEDSA-NSTR05002SBB068773
名称をさらに表示
AKOS005255167AKOS025310001AC-9775CS-W015521LS-13573DB-266989ST50827428EN300-137065

データベース識別子

CAS
152152-19-7
PubChem CID
5708779
EC Number
622-517-6

物性

構造計算による物性補完中

XLogP
2.2
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
2
重原子数
14

物理化学的性質

Melting point
195 · 195-199 °C (lit.)
Boiling point
273.8 · 273.8±35.0 °C(Predicted)
Density
1.468 · 1.468±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
4.13 · 4.13±0.10(Predicted)
form
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 45 reports by companies from 5 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%)

化学と産業

サプライヤー20 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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