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2-Bromoheptane

2-Bromoheptane structure

CAS No:
1974-04-5
Formula:
C7H15Br
Chemical Name:
2-Bromoheptane
Synonyms:
Heptane,2-bromo-;2-Bromoheptane;2-Heptyl bromide;(±)-2-Bromoheptane;NSC 11768;Heptan-2-yl bromide;63789-83-3
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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2-Bromoheptane Basic Attributes

Molecular Weight：

179.1

Exact Mass：

179.10

EC Number：

217-824-3

NSC Number：

11768

Characteristics

PSA：

XLogP3：

4.15

Density：

1.1277 g/cm³ @ Temp: 20 °C

Melting Point：

47 °C

Boiling Point：

166 °C

Flash Point：

117 °F

Refractive Index：

1.448

Vapor Pressure：

2.18mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromoheptane Use and Manufacturing

Manufacturing Info：

Heptane, 2-bromo-: INACTIVE

Computed Properties

Molecular Weight:179.10
XLogP3:3.8
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