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3-Bromohexane

3-Bromohexane structure

CAS No:
3377-87-5
Formula:
C6H13Br
Chemical Name:
3-Bromohexane
Synonyms:
Hexane,3-bromo-;3-Bromohexane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Bromohexane Basic Attributes

Molecular Weight：

165.074

Exact Mass：

165.07

EC Number：

222-174-9

HScode：

2903399090

Characteristics

PSA：

XLogP3：

2.96000

Density：

1.1799 g/cm³ @ Temp: 20 °C

Melting Point：

-44.22°C (estimate)

Boiling Point：

142 °C

Flash Point：

46°C

Refractive Index：

1.4460

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

hazard class code：

R10

safety instructions：

S23-S24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromohexane Use and Manufacturing

Manufacturing Info：

Hexane, 3-bromo-: INACTIVE

Computed Properties

Molecular Weight:165.07
XLogP3:3.2
Rotatable Bond Count:3
Exact Mass:164.02006
Monoisotopic Mass:164.02006
Heavy Atom Count:7
Complexity:35.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes