2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid

HCID 44717610CAS 881402-22-8

Grundinformationen

Standard-SMILES
OB(O)c1cc(OC(F)(F)F)ccc1F
InChIKey
NGTLLTDDJHXHQE-UHFFFAOYSA-N
Summenformel
C7H5BF4O3
Durchschnittliche Molmasse
223,92 g/mol
Monoisotopische Masse
224,0267868

Namen und Bezeichner

Bevorzugter Name
2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid
IUPAC
[2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
Englischer Name
2-Fluoro-5-(trifluoromethoxy)phenylboronic acid
Summenformel
C7H5BF4O3
Molmasse
223.92

Namen und Synonyme

2-Fluoro-5-(trifluoromethoxy)benzeneboronic acidRefChem:472459640-184-5881402-22-8(2-Fluoro-5-(trifluoromethoxy)phenyl)boronic acid2-FLUORO-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID[2-Fluoro-5-(trifluoromethoxy)phenyl]boronic acidMFCD09027234LIGHTGREENSFYELLOWISHSCHEMBL257822Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]-DTXSID90660258
Weitere Namen anzeigen
3-Borono-alpha,alpha,alpha,4-tetrafluoroanisole2-Fluoro-5-(trifluoromethoxy)benzeneboronicacid97%2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid 97%Boronic acid, B-[2-fluoro-5-(trifluoromethoxy)phenyl]-
SBB071106AKOS015854342CS-W014228DS-3013BP-11093SY1014042-Fluoro-5-(trifluoromethoxy)benzeneboronic(2-Fluoro-5-(trifluoromethoxy)phenyl)boronicacid

Datenbank-Bezeichner

CAS
881402-22-8
PubChem CID
44717610
DTXSID
DTXSID90660258
EC Number
640-184-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
49,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
2
Schwere Atome
15

Physikochemische Eigenschaften

Siedepunkt
279.9 · 279.9±50.0 °C(Predicted)
Dichte
1.48 · 1.48±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
7.18 · 7.18±0.58(Predicted)
Aggregatzustand
powder
Farbe
White to off-white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Acute Tox. 4 (33.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (33.3%);STOT SE 3 (100%)

Sicherheitsdaten

hs_code
2931900090
risk_code
22
hazard_code
Xi,Xn
hazard_note
Irritant

Chemie und Industrie

Anbieter44 Anbieter

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]

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