Methyl 4-bromocrotonate

Catalog No: FT-0628622

CAS No: 1117-71-1

Chemical Name: Methyl 4-bromocrotonate
Molecular Formula: C5H7BrO2
Molecular Weight: 179.01 g/mol
InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N
InChI: InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Danger
FW:	179.012
Density:	1.5±0.1 g/cm3
CAS:	1117-71-1
Bolling_Point:	198.5±0.0 °C at 760 mmHg
Product_Name:	Methyl bromocrotonate
Melting_Point:	N/A
Flash_Point:	67.4±22.6 °C
MF:	C5H7BrO2

Molecular_Structure:	['1 . Molar refractive index 3477 ', '2 . Molar volume （m3/mol）1213 ', '3 . Parachor （902K）2951 ', '4 . Surface tension 350 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1378']
Flash_Point:	67.4±22.6 °C
Refractive_Index:	1.485
FW:	179.012
Density:	1.5±0.1 g/cm3
Bolling_Point:	198.5±0.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :986 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	1.63
PSA:	26.30000
MF:	C5H7BrO2
More_Info:	['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25℃）1522 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,13mmHg）83-85 ', '7 . Refractive index（n 20/D ）1501 8 . Flash point（ ºC ） 917 9 . Specific rotation（ º ） Unknow 10 . Spontaneous ignition point or ignition temperature（ ºC ）92 11 . Vapor pressure（ mmHg,20ºC ） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.4±0.3 mmHg at 25°C
Exact_Mass:	177.962936

Hazard_Codes:	C:Corrosive;
Symbol:	Danger
Packing_Group:	III
Hazard_Class:	8
Warning_Statement:	P261-P280-P305 + P351 + P338
HS_Code:	2916190090
Personal_Protective_Equipment:	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
RTECS:	GQ3120000
Risk_Statements(EU):	R20/21/22;R34
Safety_Statements:	S26-S39-S45-S36/37/39
RIDADR:	3265
WGK_Germany:	3