Dibutyl methylphosphonate

HCID 16994

Basic information

CAS
2404-73-1
Standard SMILES
CCCCOP(C)(=O)OCCCC
InChIKey
NPNBLTJGRBYCJB-UHFFFAOYSA-N
Molecular formula
C9H21O3P
Average molar mass
208.23 g/mol
Monoisotopic mass
208.12283153

Names & identifiers

Preferred name
Dibutyl methylphosphonate
IUPAC
1-[butoxy(methyl)phosphoryl]oxybutane
English name
DI-N-BUTYL METHYLPHOSPHONATE
Molecular formula
C9H21O3P
Molecular weight
208.24

Names & synonyms

DIBUTYL METHYLPHOSPHONATE2404-73-1Dibutyl methanephosphonateDTXSID70178785Methylphosphonic acid, dibutyl esterPhosphonic acid, methyl-, dibutyl esterPhosphonic acid, methyl-, o,o-dibutyl esterRefChem:132941DTXCID30101276NPNBLTJGRBYCJB-UHFFFAOYSA-N1-[butoxy(methyl)phosphoryl]oxybutaneMFCD00015242
Show more names
DIBUTYLMETHYLPHOSPHONATEDI-N-BUTYL METHANEPHOSPHONATEPhosphonic acid, P-methyl-, dibutyl ester
di-n-butyl methylphosphonateDibut-1-yl MethylphosphonateSCHEMBL575461SCHEMBL5771057methyl-phosphonic acid dibutyl ester1-(Butoxy-methylphosphoryl)oxybutaneAKOS017343692DB-249955

Database identifiers

CAS
2404-73-1
PubChem CID
16994
DTXSID
DTXSID70178785
EC Number
680-714-2
Nikkaji
J265.480F

Properties

Computed structural properties

XLogP
2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
13

Experimental & physicochemical properties

Kovats Retention Index1363

Physicochemical properties

Boiling point
86 · 86-91 °C(Press: 1.5 Torr)
Density
0.977 g/cm3 · 0.9770 g/cm3
refractive index
1.518 · 1.5180 (estimate)
form
Liquid
Water Solubility
8 g/L · 8g/L(25 ºC)
CAS DataBase Reference
2404 · 2404-73-1

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.

Warning

H226 (11.9%): Flammable liquid and vapor [Warning Flammable liquids];H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (11.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (11.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 37 of 42 reports by companies.;There are 2 notifications provided by 5 of 42 reports by companies with hazard statement code(s).;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.

Safety data

ridadr
UN3272
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
hazard_class
3
packing_group
III
Hazard statements
H226-H315-H319-H335

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers14 total

上海仲因实业有限公司2537653158 16621191650 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]

Related reactions

3 records

Compound notes

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