4-Methyl-3-nitrobenzeneboronic acid

HCID 2773515CAS 80500-27-2

Grundinformationen

Standard-SMILES
Cc1ccc(B(O)O)cc1[N+](=O)[O-]
InChIKey
OASVXBRTNVFKFS-UHFFFAOYSA-N
Summenformel
C7H8BNO4
Durchschnittliche Molmasse
180,96 g/mol
Monoisotopische Masse
181,0546379

Namen und Bezeichner

Bevorzugter Name
4-Methyl-3-nitrobenzeneboronic acid
IUPAC
(4-methyl-3-nitrophenyl)boronic acid
Englischer Name
4-Methyl-3-nitrophenylboronic acid
Summenformel
C7H8BNO4
Molmasse
180.95

Namen und Synonyme

4-METHYL-3-NITROBENZENEBORONIC ACIDRefChem:525250672-692-84-Methyl-3-nitrophenylboronic acid80500-27-2(4-methyl-3-nitrophenyl)boronic acidMFCD001915504-methyl-3-nitrophenyl boronic acid(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron3-Nitro-p-tolylboronic Acid4-Methyl-3-nitrophenylboronicacid(4-methyl-3-nitro-phenyl)boronic Acid
Weitere Namen anzeigen
AKOS BRN-0124RARECHEM AH PB 0107-3-nitrobenzeneboronic acid4-Methyl-3-Nitrophenylboronic2-Nitrotoluene-4-boronic acid4-Chloro-3-methyphenylboronic acid
Boronic acid, (4-methyl-3-nitrophenyl)-3-NITRO-4-METHYLPHENYLBORONIC ACID3-NITRO-4-METHYLBENZENEBORONIC ACIDSCHEMBL177216SCHEMBL29825545DTXSID00378514SBB0641274-methyl-3-nitro-phenyl boronic acid

Datenbank-Bezeichner

CAS
80500-27-2
PubChem CID
2773515
DTXSID
DTXSID00378514
EC Number
672-692-8
Nikkaji
J534.128K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
86,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
265 · 265-270 °C (lit.)
Siedepunkt
356.7 · 356.7±52.0 °C(Predicted)
Dichte
1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit
soluble in Methanol,Acetone
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (71.4%): 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 7 reports by companies from 4 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 7 reports by companies.;There are 3 notifications provided by 6 of 7 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 (14.3%);Acute Tox. 4 (14.3%);Skin Irrit. 2 (85.7%);Eye Irrit. 2 (85.7%);Acute Tox. 4 (14.3%);STOT SE 3 (71.4%)

Sicherheitsdaten

wgk
3
hs_code
29319090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

VerwendenReactant for:• ;Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation1• ;Suzuki-Miyaura coupling reactions2,3• ;Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes4

Anbieter50 Anbieter

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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

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