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Methyl 2,3-dibromo-2-methylpropanoate

HCID 534286
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3673-79-8
Standard SMILES
COC(=O)C(C)(Br)CBr
InChIKey
GVLXNUSEDDXIGJ-UHFFFAOYSA-N
Molecular formula
C5H8Br2O2
Average molar mass
259.92 g/mol
Monoisotopic mass
257.8891

Names & identifiers

Preferred name
Methyl 2,3-dibromo-2-methylpropanoate
IUPAC
methyl 2,3-dibromo-2-methylpropanoate
English name
2,3-Dibromo-2-methylpropionic acid methyl ester
Molecular formula
C5H8Br2O2
Molecular weight
259.92

Names & synonyms

Methyl 2,3-dibromo-2-methylpropanoate3673-79-8DTXSID50336523Propanoic acid, 2,3-dibromo-2-methyl-, methyl ester2,3-DIBROMO-2-METHYLPROPIONIC ACID METHYLESTERRefChem:812904DTXCID00287612609-286-72,3-Dibromo-2-methylpropionic acid methyl esterMethyl alpha,beta-dibromoisobutyrateMethyl 2,3-dibromo-2-methylpropionate2,3-Dibromo-2-methyl-propionic acid methyl ester
Show more names
METHYL 2,3-DIBROMOPROPIONATE(MDBMP)
SCHEMBL3502125DibromdimethylessigsauremethylesterSBB080573AKOS005111100Methyl 2,3-dibromo-2-methylpropanoate #NS00022109

Database identifiers

CAS
3673-79-8
PubChem CID
534286
DTXSID
DTXSID50336523
EC Number
609-286-7
Nikkaji
J47.580G

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
116

Physicochemical properties

Boiling point
203 °C · 203°C (rough estimate)
Density
1.805 · 1.8050
refractive index
1.505 · 1.5050 (estimate)
Symbol(GHS)
8 · GHS08,GHS09,GHS06
Signal word
Danger
Hazard statements
330 · H330-H410-H341-H335
Precautionary statements
201 · P201-P202-P281-P308+P313-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501
REACH Registrations
Inactive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P264, P264+P265, P270, P271, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P320, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS08,GHS09,GHS06
Hazard statements
H330-H410-H341-H335
REACH Registrations
Inactive
Precautionary statements
P201-P202-P281-P308+P313-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501

Chemistry & industry

Suppliers6 total

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
XIAMEN EQUATION CHEMICAL CO.,LTD+86-5926515854 +86-18060954864 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
武汉浩荣生物科技有限公司18186132299 18186132299 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]

Related reactions

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Compound notes

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