CAS 1356953-67-7 2-Chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (HCID 66716079)

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Basic information

CAS: 1356953-67-7
Standard SMILES: CC1(C)OB(c2cc(F)c(O)c(Cl)c2)OC1(C)C
InChIKey: CEBBVCKDURRDBD-UHFFFAOYSA-N
Molecular formula: C12H15BClFO3
Average molar mass: 272.51 g/mol
Monoisotopic mass: 272.0786804

Names & identifiers

Preferred name: 2-Chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC: 2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
English name: 2-Chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Molecular formula: C12H15BClFO3
Molecular weight: 272.51

Names & synonyms

2-CHLORO-6-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL1356953-67-7RefChem:469620971-998-1MFCD16996260SCHEMBL530239CEBBVCKDURRDBD-UHFFFAOYSA-NGEC95367AKOS027425466MB20331CS-0088586D71823

Show more names

Phenol, 2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

EN300-12579574F604585Z20447867252-chloro-6-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol2-chloro6-fluro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Database identifiers

CAS: 1356953-67-7
PubChem CID: 66716079
EC Number: 971-998-1

Properties

Computed structural properties

Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 310

Physicochemical properties

storage temp.: 0 · Store at 0-8 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303-H320
Precautionary statements: 312 · P312-P264-P305+P351+P338-P337+P313

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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