CAS 55499-43-9 3,4-Dimethylphenylboronic acid (HCID 2734348)

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Basic information

CAS: 55499-43-9
Standard SMILES: Cc1ccc(B(O)O)cc1C
InChIKey: KDVZJKOYSOFXRV-UHFFFAOYSA-N
Molecular formula: C8H11BO2
Average molar mass: 149.98 g/mol
Monoisotopic mass: 150.08520999

Names & identifiers

Preferred name: 3,4-Dimethylphenylboronic acid
IUPAC: (3,4-dimethylphenyl)boronic acid
English name: 3,4-Dimethylphenylboronic acid
Molecular formula: C8H11BO2
Molecular weight: 149.98

Names & synonyms

3,4-Dimethylphenylboronic acid55499-43-9(3,4-Dimethylphenyl)boronic acidDTXSID40370239RefChem:486380DTXCID30321275611-277-83,4-dimethylbenzeneboronic acidMFCD01009694(3,4-dimethylphenyl)boranediolBoronic acid, (3,4-dimethylphenyl)-SCHEMBL40868

Show more names

AKOS BRN-02244-Borono-o-xyleneRARECHEM AH PB 01853,4-Dimethylphenylbo3,4-Dimethylphenylboronicaci3,4-diemthylphenylboronic acidB-(3,4-DiMethylphenyl)boronic acid3,4-Dimethylphenylboronic acid,97%

3.4-dimethylbenzeneboronic acid3,4-dimethyl phenylboronic acid3,4-dimethylphenyl boronic acidSCHEMBL29817989KDVZJKOYSOFXRV-UHFFFAOYSA-NCS-D1027SBB086672AKOS000285051

Database identifiers

CAS: 55499-43-9
PubChem CID: 2734348
DTXSID: DTXSID40370239
EC Number: 611-277-8

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 220 °C · 220°C
Boiling point: 304.9 · 304.9±52.0 °C(Predicted)
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Powder
pka: 8.89 · 8.89±0.10(Predicted)
color: White to slightly beige
BRN: 2963858 · 2963858
CAS DataBase Reference: 55499 · 55499-43-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
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: Xn,Xi
Risk Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

hs_code: 29319090
risk_code: 36/37/38-22-41-37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 37/39-26-36/37-39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a