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3-Bromoheptane

3-Bromoheptane structure

CAS No:
1974-05-6
Formula:
C7H15Br
Chemical Name:
3-Bromoheptane
Synonyms:
Heptane,3-bromo-;3-Bromoheptane;3-Heptyl bromide;116435-51-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Bromoheptane Basic Attributes

Molecular Weight：

179.1

Exact Mass：

179.10

BRN：

1719072

EC Number：

217-825-9

Characteristics

PSA：

XLogP3：

3.35010

Density：

1.1415 g/cm³ @ Temp: 15 °C

Boiling Point：

62 °C

Flash Point：

61-62°C/18mm

Refractive Index：

1.4510

Vapor Pressure：

2.18mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

hazard class code：

safety instructions：

23-24/25

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, 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, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory.

3-Bromoheptane Use and Manufacturing

Manufacturing Info：

Heptane, 3-bromo-: INACTIVE

Computed Properties

Molecular Weight:179.10
XLogP3:3.7
Rotatable Bond Count:4
Exact Mass:178.03571
Monoisotopic Mass:178.03571
Heavy Atom Count:8
Complexity:43.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes