1,3-Dibromo-2,2-dimethylpropane

HCID 79491
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Substructure searchFind similar structures

Basic information

CAS
5434-27-5
Standard SMILES
CC(C)(CBr)CBr
InChIKey
UXAFLFGXSIWWMY-UHFFFAOYSA-N
Molecular formula
C5H10Br2
Average molar mass
229.94 g/mol
Monoisotopic mass
227.91492452

Names & identifiers

Preferred name
1,3-Dibromo-2,2-dimethylpropane
IUPAC
1,3-dibromo-2,2-dimethylpropane
English name
1,3-DIBROMO-2,2-DIMETHYLPROPANE
Molecular formula
C5H10Br2
Molecular weight
229.94

Names & synonyms

1,3-Dibromo-2,2-dimethylpropane5434-27-5Propane, 1,3-dibromo-2,2-dimethyl-Neopentyl dibromide9N7BM8F38YNSC-157541-bromo-2-bromomethyl-2-methylpropane1,3-DIBROMONEOPENTANEDTXSID30638812,2-dimethyl-1,3-dibromopropane2,2-BIS(BROMOMETHYL)PROPANERefChem:72590
Show more names
NSC 1575DIBROMONEOPENTANE1,3-dibromo-2,2-dimethyl-propan1,3-DIBROMO-2,2-DIMETHYLPROPANE, >97%
DTXCID1041689Propane, 1,3dibromo2,2dimethylUXAFLFGXSIWWMY-UHFFFAOYSA-NMFCD000391891,3-dibromo-2,2-dimethyl-propaneEINECS 226-598-5NSC 15754UNII-9N7BM8F38Y

Database identifiers

CAS
5434-27-5
PubChem CID
79491
DTXSID
DTXSID3063881
UNII
9N7BM8F38Y
EC Number
226-598-5
Nikkaji
J81.030D

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesDensity
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
-28.63 °C · -28.63°C (estimate)
Boiling point
182 · 182-183℃ (743 Torr)
Density
1.672 · 1.672±0.06 g/cm3 (20 ºC 760 Torr)
refractive index
1.5051 · 1.5051 (589.3 nm 20℃)
Flash point
58.5 · 58.5±17.7℃
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See 2,3-Dibromobutane. See 1-Chloro-2,2-dimethylpropane.
Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319-H227
Precautionary statements
P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropane, 1,3-dibromo-2,2-dimethyl-: INACTIVE

Upstream & downstream products

Suppliers69 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364

Related reactions

2 records
New reaction record

Compound notes

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