CAS 209919-30-2 (4-Chloro-2-methylphenyl)boronic acid (HCID 5017600)

Substructure search Find similar structures

Basic information

CAS: 209919-30-2
Standard SMILES: Cc1cc(Cl)ccc1B(O)O
InChIKey: SRXXSLUUAWHGBZ-UHFFFAOYSA-N
Molecular formula: C7H8BClO2
Average molar mass: 170.4 g/mol
Monoisotopic mass: 170.03058758

Names & identifiers

Preferred name: (4-Chloro-2-methylphenyl)boronic acid
IUPAC: (4-chloro-2-methylphenyl)boronic acid
English name: 4-CHLORO-2-METHYLPHENYLBORONIC ACID
Molecular formula: C7H8BClO2
Molecular weight: 170.4

Names & synonyms

(4-chloro-2-methylphenyl)boronic acidRefChem:402606681-532-64-Chloro-2-methylphenylboronic acid209919-30-24-chloro-2-methylbenzeneboronic acid4-Chloro-o-tolylboronic acidMFCD02683107(4-chloro-2-methyl-phenyl)boronic Acid2-methyl-4-chlorophenylboronic acid2-methyl-4-chloro-phenylboronic acid2-methyl-4-chlorophenyl-boronic acid

Show more names

AKOS BRN-02294-CHLORO-2-METHYLPHENYL2-Borono-5-chlorotoluene4-CHLORO-O-TOLUENEBORONIC ACID4-Chloro-2-Methylphenylboronic(4-chloro-2-methylphenyl)boronicaci(2-Methyl-4-chlorophenyl)boronic acid

(4-chloro-2-methylphenyl) boronic acid4-Chloro-2-methylphenylboronic Acid (contains varying amounts of Anhydride)Boronic acid, (4-chloro-2-methylphenyl)-4-chloro-2-methylphenyl boronic acidAM20050347SCHEMBL6244025-chloro-o-toluene boronic acidSCHEMBL29825793

Database identifiers

CAS: 209919-30-2
PubChem CID: 5017600
DTXSID: DTXSID90407549
EC Number: 681-532-6
Nikkaji: J3.130.046K

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: 132

Physicochemical properties

Melting point: 193 · 193-195°C
Boiling point: 314.9 · 314.9±52.0 °C(Predicted)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 8.47 · 8.47±0.58(Predicted)
color: White to Almost white
InChIKey: SRXXSLUUAWHGBZ-UHFFFAOYSA-N
CAS DataBase Reference: 209919 · 209919-30-2(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: Xi,Xn

Safety & regulation

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 45 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29319090
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36
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