CAS 98432-80-5 Diisopropyl bromomethylphosphonate (HCID 4366885)

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Basic information

CAS: 98432-80-5
Standard SMILES: CC(C)OP(=O)(CBr)OC(C)C
InChIKey: JNONGIUWXHOEEN-UHFFFAOYSA-N
Molecular formula: C7H16BrO3P
Average molar mass: 259.08 g/mol
Monoisotopic mass: 258.0020431

Overview

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Names & identifiers

Preferred name: Diisopropyl bromomethylphosphonate
IUPAC: 2-[bromomethyl(propan-2-yloxy)phosphoryl]oxypropane
English name: Diisopropyl bromomethylphosphonate
Molecular formula: C7H16BrO3P
Molecular weight: 259.08

Names & synonyms

Diisopropyl bromomethylphosphonate98432-80-52-[bromomethyl(propan-2-yloxy)phosphoryl]oxypropanediisopropyl (bromomethyl)phosphonateMFCD00236036bis(propan-2-yl) (bromomethyl)phosphonatebromomethylphosphonic acid diisopropyl esterSCHEMBL525701DTXSID70402436diisopropyl(bromomethyl)phosphonateAKOS015836185bromomethylphosphonate diisopropyl ester

Show more names

Diisopropylbromomethylphosphonate,97%Bis(1-methylethyl) P-(bromomethyl)phosphonatePhosphonic acid, P-(bromomethyl)-, bis(1-methylethyl) ester

AS-64021Di(propan-2-yl) (bromomethyl)phosphonateSY106520DB-254479CS-02072902-[bromomethyl(isopropoxy)phosphoryl]oxypropaneW13205F531231

Database identifiers

CAS: 98432-80-5
PubChem CID: 4366885
DTXSID

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 156

Physicochemical properties

Boiling point: 80 °C · 80°C 1mm
Density: 1.329 · 1.329
refractive index: 1.4495 · 1.4495
Flash point: 80 °C/1mm · 80°C/1mm
Water Solubility: Insoluble in water.
BRN: 4740388 · 4740388
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
HazardClass: 8 · 8
PackingGroup: III
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)

Safety & regulation

Safety data

ridadr: 3265
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a