5-Formyl-2-methoxyphenylboronic acid

HCID 2734367

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Substructure search Find similar structures

Basic information

CAS: 127972-02-5
Standard SMILES: COc1ccc(C=O)cc1B(O)O
InChIKey: NKKNXLPHCRLBDY-UHFFFAOYSA-N
Molecular formula: C8H9BO4
Average molar mass: 179.97 g/mol
Monoisotopic mass: 180.05938917

Names & identifiers

Preferred name: 5-Formyl-2-methoxyphenylboronic acid
IUPAC: (5-formyl-2-methoxyphenyl)boronic acid
English name: 2-Methoxy-5-formylphenylboronic acid
Molecular formula: C8H9BO4
Molecular weight: 179.97

Names & synonyms

127972-02-55-Formyl-2-methoxyphenylboronic acidDTXSID20370257RefChem:303243DTXCID10321293626-939-12-Methoxy-5-formylphenylboronic acid(5-formyl-2-methoxyphenyl)boronic acidMFCD013190445-Formyl-2-methoxybenzeneboronic Acid(5-formyl-2-methoxy-phenyl)boronic AcidBoronic acid, B-(5-formyl-2-methoxyphenyl)-

Show more names

BM608AC 35954AKOS BRN-0108512257_ALDRICH-2-methoxyphenyLRARECHEM AH PB 0105CHEMBRDG-BB 32009773-borono-p-anisaldehyde3-BORONO-4-METHOXYBENZALDEHYDE5-Formyl-2-Methoxyphenylboroni

2-Methoxy-5-formylbenzeneboronic acid(5-formyl-2-methoxyphenyl)boronicacidAKOS0041163225-formyl-2-methoxy phenyl boronic acidBP-11847F0834EN300-7373078BORONIC ACID, (5-FORMYL-2-METHOXYPHENYL)-

Database identifiers

CAS: 127972-02-5
PubChem CID: 2734367
DTXSID: DTXSID20370257
EC Number: 626-939-1
Nikkaji: J1.127.094H

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: 174

Physicochemical properties

Melting point: 154 · 154-157 °C(lit.)
Boiling point: 417.4 · 417.4±55.0 °C(Predicted)
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
pka: 7.86 · 7.86±0.58(Predicted)
form: Powder
color: Light orange
Sensitive: Air Sensitive
BRN: 5334095 · 5334095
CAS DataBase Reference: 127972 · 127972-02-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 22 · 22-26-36/37/39-45-37
RIDADR: 1759 · UN 1759 8/PG 3
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29319090 · 29319090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (88.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (88.6%)

Safety data

wgk: 3
ridadr: UN 1759 8/PG 3
hs_code: 29319090
risk_code: 34-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
safety_code: 22-26-36/37/39-45-37
hazard_class: IRRITANT
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a