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1-Bromoheptane

1-Bromoheptane structure

CAS No:
629-04-9
Formula:
C7H15Br
Chemical Name:
1-Bromoheptane
Synonyms:
Heptane,1-bromo-;1-Bromoheptane;Heptyl bromide;n-Heptyl bromide;1-Heptyl bromide;NSC 7315
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid

1-Bromoheptane Basic Attributes

Molecular Weight：

179.1

Exact Mass：

179.10

BRN：

1697160

EC Number：

211-068-8

NSC Number：

7315

DSSTox ID：

DTXSID7022095

HScode：

29033036

Characteristics

PSA：

XLogP3：

4.4

Appearance：

Clear colorless to light yellow Liquid

Density：

1.1596 g/cm³ @ Temp: 0 °C

Melting Point：

-58 °C

Boiling Point：

179 °C

Flash Point：

141 °F

Refractive Index：

1.449

Water Solubility：

H2O: insoluble

Storage Conditions：

Store at RT.

Vapor Pressure：

1.27 mmHg

Vapor Density：

6.18 (vs air)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

36/37-36/37/38-20

safety instructions：

23-24/25-37/39-26

RTECS Number：

MI8100000

Marks：

Xi,F

Stability/Shelf Life：

Stable. Flammable. Incompatible with oxidizing agents, strong bases.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P273, 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, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 60 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromoheptane Use and Manufacturing

Uses

Used as an intermediate in organic synthesis

Manufacturing Info：

Heptane, 1-bromo-: ACTIVE

Computed Properties

Molecular Weight:179.10
XLogP3:4.4
Rotatable Bond Count:5
Exact Mass:178.03571
Monoisotopic Mass:178.03571
Heavy Atom Count:8
Complexity:35.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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