2-Butene, 1-bromo-3-methyl-

HCID 70092CAS 870-63-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)=CCBr
InChIKey
LOYZVRIHVZEDMW-UHFFFAOYSA-N
Molecular formula
C5H9Br
Average molar mass
149.03 g/mol
Monoisotopic mass
147.98876239

Names & identifiers

Preferred name
2-Butene, 1-bromo-3-methyl-
IUPAC
1-bromo-3-methylbut-2-ene
English name
3,3-Dimethylallyl bromide
Molecular formula
C5H9Br
Molecular weight
149.03

Names & synonyms

870-63-31-Bromo-3-methylbut-2-enePrenyl bromide2-Butene, 1-bromo-3-methyl-EINECS 212-799-5DTXSID2061228RefChem:467467DTXCID9048560212-799-53,3-Dimethylallyl bromide1-Bromo-3-methyl-2-butene3-Methyl-2-butenyl bromide
Show more names
1-bromo-3-methyl-2-butenIsopentenyl bromide3,3-Dimethallylbromide4-BROMO-2-METHYL-2-BUTENE1-Brom-3-methyl-2-buten(4-2,2)IsoprenylbromideIsoaMylene broMide
1-Bromo-3-methyl-but-2-eneMFCD00000242Dimethylallyl bromide.gamma.,.gamma.-Dimethylallyl bromide1-Bromo-3-methyl-2-butene (90per cent)1-Bromo-3-methyl-2-butene (90%)2-methyl-4-bromo-2-butene3-methyl-1-bromo-2-butene

Database identifiers

CAS
870-63-3
PubChem CID
70092
DTXSID
DTXSID2061228
EC Number
212-799-5
Nikkaji
J150.758C

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point
-106.7 °C · -106.7°C (estimate)
Boiling point
82 · 82-83 °C150 mm Hg(lit.)
Density
1.29 g/mL · 1.29 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.489(lit.)
Flash point
88 °F · 88 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (96.3%): Causes skin irritation [Warning Skin corrosion/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 1335 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Butene, 1-bromo-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (96.3%)

Safety data

F
8-10-19-23
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
hs_code
29033990

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butene, 1-bromo-3-methyl-: ACTIVE
Applications · 3 items

Uses3,3-Dimethylallyl bromide has been used in the preparation of:(±)-eldanolide1-(3,3-dimethylallyl)-L-tryptophan(±)-fumagillin, antibiotic isolated from Aspergillus fumigattus

Uses3,3-Dimethylallyl bromide was used in the synthesis of 1- and 2-allylic-3-methylindoles. It was also used in the synthesis of products and base-modified pyrimidine nucleosides.

Uses3,3-Dimethylallyl bromide is a useful source of the 3,3-dimethylallyl or prenyl group for the synthesis of natural products1 and in the synthesis of base-modified pyrimidine nucleosides.2

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

439 records
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Linked notes

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