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1,5-Dibromopentane

1,5-Dibromopentane structure

CAS No:
111-24-0
Formula:
C5H10Br2
Chemical Name:
1,5-Dibromopentane
Synonyms:
Pentane,1,5-dibromo-;1,5-Dibromopentane;Pentamethylene bromide;Pentamethylene dibromide;1,5-Pentanedibromide;NSC 5373
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

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Description

CLEAR COLORLESS TO YELLOW-BROWNISH LIQUID

1,5-Dibromopentane Basic Attributes

Molecular Weight：

229.94

Exact Mass：

229.94

BRN：

1209245

EC Number：

203-849-7

UNII：

B8Q228QYS1

NSC Number：

5373

DSSTox ID：

DTXSID2049395

HScode：

29033036

Characteristics

PSA：

XLogP3：

2.8

Appearance：

Clear colorless to yellow-brown Liquid

Density：

1.703 g/cm³ @ Temp: 16 °C

Melting Point：

-39.5 °C

Boiling Point：

222.3 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.512(lit.)

Water Solubility：

insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.136mmHg at 25°C

Vapor Density：

8 (vs air)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38-22

safety instructions：

23-26-36-37/39

RTECS Number：

SA0320000

Marks：

Xi,Xn

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H302 (11.54%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,5-dibromopentane

1,5-Dibromopentane Use and Manufacturing

Methods of Manufacturing

Derived from tetrahydropyran ring opening bromination. In a 500ml flask, sequentially add 250g of 48% hydrobromic acid, 75g of concentrated sulfuric acid, and 21.5g of re-evaporated tetrahydropyran (86.5-87.5°C fraction), install a reflux condenser, and heat the brown mixture to gently reflux for 3h. After cooling to room temperature, separate the dibromide in the lower layer and wash it with saturated sodium carbonate solution and water once. Dry with anhydrous calcium chloride. Vacuum distillation, collect 104-106 ℃ (2.53kPa) distillate is the finished product, the output is 46-47g, the yield is 80-82%.

Uses

Used in organic synthesis. 1,5-di-source of Grignard reagents.

Manufacturing Info：

Pentane, 1,5-dibromo-: ACTIVE

Computed Properties

Molecular Weight:229.94
XLogP3:2.8
Rotatable Bond Count:4
Exact Mass:229.91288
Monoisotopic Mass:227.91493
Heavy Atom Count:7
Complexity:25.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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