CAS 628-71-7|hept-1-yne|1-heptyne|1-HEPTYNE|n-Pentylacetylene|1-庚炔|1-Heptyne|Hept-1-yne

InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3

YVXHZKKCZYLQOP-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.7685518

LogD (pH = 7.4)

2.7685518

Log P

2.7685518

Molar Refractivity

32.4708

Polarizability

12.564783

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

1-HEPTYNEn-Pentylacetylene1-庚炔1-HeptyneHept-1-yne

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05214527

MP Biomedicals Rare Chemical collection

244414

Packaging
25, 100 mL in glass bottle

• For triphasic bromination or cyanation in the 1-position, see 1-Octyne, A12440.

Names and Identifiers

IUPAC name

hept-1-yne

IUPAC Traditional name

1-heptyne

Synonyms

1-HEPTYNEn-Pentylacetylene1-庚炔1-HeptyneHept-1-yne

Registration numbers

EC Number

211-051-5

CAS Number

628-71-7

PubChem SID

2487408316207673524854674

Beilstein Number

MDL Number

PubChem CID

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

244414

Packaging
25, 100 mL in glass bottle

References

PubChem Literature

From Data Sources

• For triphasic bromination or cyanation in the 1-position, see 1-Octyne, A12440.

Bioactivity

PubChem BioAssay

9-16-29-33-62

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

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

German water hazard class

GHS Hazard statements

GHS Precautionary statements

Personal Protective Equipment

Molecule

ID:89880