1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo(d)(1,3,2)benzodioxaphosphocine

HCID 86348CAS 118337-09-0

Substructure search Find similar structures

Basic information

Standard SMILES: CC1c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(F)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C
InChIKey: MYMKXVFDVQUQLG-UHFFFAOYSA-N
Molecular formula: C30H44FO2P
Average molar mass: 486.6 g/mol
Monoisotopic mass: 486.3062958

Names & identifiers

Preferred name: 1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo(d)(1,3,2)benzodioxaphosphocine
IUPAC: 1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
English name: 2 2'-Ethylidenebis(4 6-di-tert-butyl-
Molecular formula: C30H44FO2P
Molecular weight: 486.64

Names & synonyms

12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine12H-Dibenzo(d,g)(1,3,2)dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo(d)(1,3,2)benzodioxaphosphocineRefChem:412787403-020-1118337-09-02,4,8,10-Tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-12H-Dibenzo[d,g][1,3,2]dioxaphosphocin2,4,8,10-Tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-12H-dibenzo(d,g)(1,3,2)dioxaphosphocinSCHEMBL39043DTXSID6073075SCHEMBL29372287

Show more names

CL089fluoro-12-methyl-2 2'-Ethylidenebis(4 6-di-tert-butyl-2,2'-ethylidenebis(4,6-di-tert-butyl-phenyl) fluo2,2-Ethylidenebis(4,6-di-tert-butylphenyl) fluorophosphiteg][1,3,2]dioxaphosphocin,2,4,8,10-tetrakis(1,1-dimethylethyl)-6-12h-dibenzo[12H-Dibenzod,g1,3,2dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-

AKOS015912513DB-239490NS000113842,2'-ethylidenebis(4,6-di-tert-butylphenyl) fluorophosphite2,4,8,10-Tetra-tert-butyl-6-fluoro-12-methyl-6H,12H-dibenzo[d,g][1,3,2]dioxaphosphocine

Database identifiers

CAS: 118337-09-0
PubChem CID: 86348
DTXSID: DTXSID6073075
EC Number: 403-020-1、688-151-4
Nikkaji: J690.341J

Properties

Computed structural properties

XLogP: 11.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 34
Formal charge: 0
Complexity: 637

Physicochemical properties

Melting point: 201 · 201-203 °C(lit.)
Boiling point: 451.2 · 451.2±55.0 °C(Predicted)
Indirect Additives used in Food Contact Substances: 2 · 2,2'-ETHYLIDENEBIS(4,6-DI-TERT-BUTYLPHENYL)FLUOROPHOSPHONITE
FDA 21 CFR: 175.105 · 175.105; 178.2010
EPA Substance Registry System: 12 H-Dibenzo[d,g][1,3,2]dioxaphosphocin, · 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl- (118337-09-0)
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 334 · H334
Precautionary statements: 261 · P261-P285-P304+P341-P342+P311-P501
WGK Germany: 3 · 3
TSCA: TSCA listed
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5079

12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesResp. Sens. 1 (100%)

Regulatory information

Regulatory Information · 3 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5079

12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-: Does not have an individual approval but may be used under an appropriate group standard