4-Acetoxybenzeneboronic acid

HCID 44119577

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Basic information

CAS: 177490-82-3
Standard SMILES: CC(=O)Oc1ccc(B(O)O)cc1
InChIKey: VILXJXDXZGKJLU-UHFFFAOYSA-N
Molecular formula: C8H9BO4
Average molar mass: 179.97 g/mol
Monoisotopic mass: 180.0593889

Names & identifiers

Preferred name: 4-Acetoxybenzeneboronic acid
IUPAC: (4-acetyloxyphenyl)boronic acid
English name: 4-Acetoxyphenylboronic acid
Molecular formula: C8H9BO4
Molecular weight: 179.97

Names & synonyms

4-Acetoxybenzeneboronic acidRefChem:517303688-399-3177490-82-3(4-Acetoxyphenyl)boronic acid4-Acetoxyphenylboronic acid(4-acetyloxyphenyl)boronic acidMFCD09027198[4-(Acetyloxy)phenyl]boronic acidBoronic acid, B-[4-(acetyloxy)phenyl]-Boronic acid, [4-(acetyloxy)phenyl]-(4-Acetoxyphenyl)boronicacid

Show more names

(4-Acetoxyphenyl)4-Boronophenyl acetate4-Acetoxybenzeneboronicacid97%4-Acetoxybenzeneboronic acid 98%Boronic acid,B-[4-(acetyloxy)phenyl]-(4-Acetoxyphenyl)boronic acid - [A89683]4-AcetoxyphenylboronicAcid(containsvaryingamountsofAnhydride)>

4-Acetyloxyphenylboronic acidSCHEMBL2717810DTXSID90657300AKOS006344729DS-16468SY051069A2818CS-0155019

Database identifiers

CAS: 177490-82-3
PubChem CID: 44119577
DTXSID: DTXSID90657300
EC Number: 688-399-3

Properties

Computed structural properties

Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 220 · 220-224℃
Boiling point: 339.9 · 339.9±44.0 °C(Predicted)
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: solid
pka: 8.42 · 8.42±0.17(Predicted)
color: white to off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37-60
Hazard Note: Irritant
TSCA: No
HS Code: 2931900090 · 2931900090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: No
hs_code: 2931900090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_note: Irritant
safety_code: 26-37-60
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Suppliers67 total

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

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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