CAS 2695-47-8|6-Bromo-1-hexene|6-bromohex-1-ene|6-bromohex-1-ene|6-Bromohex-1-ene 96%|Hex-5-en-1-yl bromide|6-Bromo-1-hexene|6-溴-1-己烯

Molecular Formula

C₆H₁₁Br

Molecular Mass

163.05554

Exact Mass

162.00441235

InChI

InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2

InChIKey

RIMXEJYJXDBLIE-UHFFFAOYSA-N

Canonic Smiles

BrCCCCC=C

Isomeric Smiles

BrCCCCC=C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9305584

LogD (pH = 7.4)

2.9305584

Log P

2.9305584

Molar Refractivity

37.4155

Polarizability

14.203964

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

75906

Synonyms

6-Bromo-1-hexeneHex-5-en-1-yl bromide6-Bromohex-1-ene 96%6-Bromo-1-hexene6-溴-1-己烯

IUPAC name

6-bromohex-1-ene

IUPAC Traditional name

6-bromohex-1-ene

Beilstein Number

506203

MDL Number

MFCD00000269

CAS Number

2695-47-8

Product Information

Physical Property

MSDS Link

Download link

Storage Warning

IRRITANT, FLAMMABLE

Flammable/Irritant/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon

true

是

Danger

Warning

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

H226-H315-H319-H335-H360D

H226-H315-H319-H335

61-10-36/37/38

10-36/37/38

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

P201-P261-P305+P351+P338-P308+P313

P261-P305+P351+P338

P261-P280G-P305+P351+P338

1993

UN1993

UN 1993 3/PG 3

53-26-45

26-36

23-26-37

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Sigma Aldrich

247219

Application
Used in a simple, direct preparation of 4-alkenylbenzonitriles via anionic reduced forms of terephthalonitrile in liquid ammonia.1
Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

75906

Synonyms

6-Bromo-1-hexeneHex-5-en-1-yl bromide6-Bromohex-1-ene 96%6-Bromo-1-hexene6-溴-1-己烯

IUPAC name

6-bromohex-1-ene

IUPAC Traditional name

6-bromohex-1-ene

Beilstein Number

MDL Number

CAS Number

247219

Application
Used in a simple, direct preparation of 4-alkenylbenzonitriles via anionic reduced forms of terephthalonitrile in liquid ammonia.1
Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Product Information

Physical Property

Safety Information

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Irritant (Xi)

Molecule

ID:10303