2-(4-Chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 3767641

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Basic information

CAS: 445303-11-7
Standard SMILES: Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl
InChIKey: IVNMVIMOKWBLKH-UHFFFAOYSA-N
Molecular formula: C13H18BClO2
Average molar mass: 252.55 g/mol
Monoisotopic mass: 252.1088377

Names & identifiers

Preferred name: 2-(4-Chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name: 2-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular formula: C13H18BClO2
Molecular weight: 252.54

Names & synonyms

445303-11-72-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:457230877-807-71,3,2-Dioxaborolane, 2-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-MFCD18729907SCHEMBL4425474SCHEMBL30622816DTXSID50396142IVNMVIMOKWBLKH-UHFFFAOYSA-NVSA303112-(4-chloro-3-methyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Show more names

DA-28235CS-0188967E91639EN300-12619916F627121Z20499177122-(4-chloro-3-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane2-(4-chloro-3-methyl-phenyl)-4,4,5,5-tetramethyl[1,3,2]-dioxaborolane

Database identifiers

CAS: 445303-11-7
PubChem CID: 3767641
DTXSID: DTXSID50396142
EC Number: 877-807-7

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 277

Physicochemical properties

Boiling point: 332 · 332.0±35.0 °C(Predicted)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H312-H332-H315-H319
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H312-H332-H315-H319
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P