(3-Chlorophenyl)boronic acid

HCID 2734323

Grundinformationen

CAS
63503-60-6
Standard-SMILES
OB(O)c1cccc(Cl)c1
InChIKey
SDEAGACSNFSZCU-UHFFFAOYSA-N
Summenformel
C6H6BClO2
Durchschnittliche Molmasse
156,38 g/mol
Monoisotopische Masse
156,0149373

Namen und Bezeichner

Bevorzugter Name
(3-Chlorophenyl)boronic acid
IUPAC
(3-chlorophenyl)boronic acid
Englischer Name
3-Chlorophenylboronic acid
Summenformel
C6H6BClO2
Molmasse
156.37

Namen und Synonyme

(3-chlorophenyl)boronic acidRefChem:400104628-786-63-Chlorophenylboronic acid63503-60-63-chlorobenzeneboronic acid3-chlorophenyl boronic acid3-ChlorophenylboronicacidMFCD00161354m-chlorophenylboronic acid(3-Chlorophenyl)BoranediolB-(3-chlorophenyl)-boronic acid
Weitere Namen anzeigen
AKOS BRN-0010RARECHEM AH PB 01793-Chlorophenylboroni3-Chlorophenylboronic3-Chlorophenylboric acid3-CHLOROPHENYLBORNIC ACID3-Chlorophenylboroic acid
3-Chlorophenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (3-chlorophenyl)-B-(3-Chlorophenyl)boronic Acid; (3-Chlorophenyl)boronic Acid; (m-Chlorophenyl)boronic Acid; 3-Chlorobenzeneboronic Acid; m-Chlorobenzeneboronic AcidVismodegib Impurity 103-chlorphenylboronic acid3-chiorophenylboronic acidm-chlorophenyl boronic acid3-chloro phenylboronic acid

Datenbank-Bezeichner

CAS
63503-60-6
PubChem CID
2734323
DTXSID
DTXSID40370214
ChEMBL
CHEMBL164616
EC Number
628-786-6
Nikkaji
J920.027D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
185 · 185-189 °C(lit.)
Siedepunkt
311.4 · 311.4±44.0 °C(Predicted)
Dichte
1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
soluble in Methanol
pka
7.55 · 7.55±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (74.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (23.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (23.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (74.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (21.8%): 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 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 55 reports by companies.;There are 12 notifications provided by 54 of 55 reports by companies with hazard statement code(s).;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 (80%);Acute Tox. 4 (74.5%);Skin Irrit. 2 (23.6%);Eye Irrit. 2 (23.6%);Acute Tox. 4 (74.5%);STOT SE 3 (21.8%)

Sicherheitsdaten

wgk
3
hs_code
29163990
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
36-37/39-26
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwendensuzuki reaction

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
天津欣康佑生物科技有限公司19922659386 · [email protected]

Zugehörige Reaktionen

575

Notizen zur Verbindung

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