CAS 1186-10-3 Diethyl (3-bromopropyl)phosphonate (HCID 283500)

Names & identifiers

Preferred name: Diethyl (3-bromopropyl)phosphonate
IUPAC: 1-bromo-3-diethoxyphosphorylpropane
English name: Diethyl(3-bromopropyl)phosphonate
Molecular formula: C7H16BrO3P
Molecular weight: 259.08

Names & synonyms

diethyl (3-bromopropyl)phosphonateRefChem:587016805-814-71186-10-3Diethyl 3-BromopropylphosphonateDiethyl(3-bromopropyl)phosphonate1-bromo-3-diethoxyphosphorylpropaneMFCD00800966(3-Bromopropyl)phosphonic acid diethyl esterNSC 1383451-bromo-3-diethoxyphosphoryl-propaneC7H16BrO3P

Show more names

phosphonateDiethyl (3-bromoprop-1-yl)phosphonateDiethyl (3-bromopropyl)DIETHOXY 3-BROMOPROPYLPHOSPHINEDiethyl(3-Bromopropyl)phosphonate>

diethyl 3-bromopropanphosphonateCS-W012527AS-10528EN300-97141AMY42222Phosphonic acid, (3-bromopropyl)-, diethyl esterNSC138345A893087

Database identifiers

CAS: 1186-10-3
PubChem CID: 283500
DTXSID: DTXSID50300688
ChEBI: CHEBI:188792
EC Number: 805-814-7
Nikkaji: J1.238.276F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Physicochemical properties

Boiling point: 94 · 94-95 °C/2 mmHg (lit.)
Density: 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4620(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Acetone, Chloroform, Ethanol, Ethyl Acetate, Methanol,
form: Colourless Liquid
color: Colorless to Light yellow
InChI: InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
SMILES: P(CCCBr)(=O)(OCC)OCC
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: Eyeshields, Gloves
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 29319000 · 29319000
Storage Class: 10 · 10 - Combustible liquids

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 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29319000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

UsesReactant for synthesis of: Hybrid assembly composed of titanium dioxide nanoparticles and thin multi-walled carbon nanotubesOrganosoluble zirconium phosphonate nanocomposites for asymmetric hydrogenationCyclic hydroxamic acids via alkylation followed by intramolecular cyclizationpH-responsive cyclopolymerReactant for: Homogenization of zirconium hydroxide phosphonate supported ruthenium catalystReactions with sodium imidazolide