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6-Bromo-1-hexene(CAS No. 2695-47-8)

6-Bromo-1-hexene C6H11Br (cas 2695-47-8) Molecular Structure

2695-47-8 Structure

Identification and Related Records

【Name】
6-Bromo-1-hexene
【Iupac name】
6-bromohex-1-ene
【CAS Registry number】
2695-47-8
【Synonyms】
1-Bromo-5-hexene
5-Hexen-1-yl bromide
5-Hexenyl bromide
6-Bromohexene
【EINECS(EC#)】
220-267-9
【Molecular Formula】
C6H11Br (Products with the same molecular formula)
【Molecular Weight】
163.06
【Inchi】
InChI=1/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2
【InChIKey】
RIMXEJYJXDBLIE-UHFFFAOYSA-N
【Canonical SMILES】
C=CCCCCBr
【MOL File】
2695-47-8.mol

Chemical and Physical Properties

【Appearance】
colourless liquid
【Density】
1.217
【Boiling Point】
47-51℃ (16 mmHg)
【Vapour】
4.36mmHg at 25°C
【Refractive Index】
n20/D 1.4652(lit.)
【Flash Point】
52℃
【Stability】
Stable. Incompatible with strong oxidizing agents, strong bases. Flammable.
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:163.05554 [g/mol]
Molecular Formula:C6H11Br
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:4
Exact Mass:162.004413
MonoIsotopic Mass:162.004413
Topological Polar Surface Area:0
Heavy Atom Count:7
Formal Charge:0
Complexity:41.4
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:27

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R10;R36/37/38
【Safety Statements 】
S16;S26;S37/39
【HazardClass】
3.2
【Hazard Note】
Flammable/Irritant
【PackingGroup 】
III
【Transport】
UN 1993

Supplier Location

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