ChemicalBook--->CAS DataBase List--->30964-00-2

30964-00-2

30964-00-2 Structure

30964-00-2 Structure
IdentificationBack Directory
[Name]

6-Heptynoic acid
[CAS]

30964-00-2
[Synonyms]

hept-6-ynoicaci
6-HEPTYNOIC ACID
HeptynoicAcid,6-
Hept-6-ynoic acid
TIMTEC-BB SBB008797
6-Heptynoic acid 90%
6-HEPTYNOIC ACID 97+%
6-HEPTYNOIC ACID, 90+%
5-hexynecarboxylic acid
6-HEPTYNOIC ACID, 98%6-HEPTYNOIC ACID, 98%6-HEPTYNOIC ACID, 98%6-HEPTYNOIC ACID, 98%
[Molecular Formula]

C7H10O2
[MDL Number]

MFCD00239430
[MOL File]

30964-00-2.mol
[Molecular Weight]

126.15
Chemical PropertiesBack Directory
[Melting point ]

22°C
[Boiling point ]

93-94 °C1 mm Hg(lit.)
[density ]

0.997 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.451(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Miscible with dimethylformamide.
[form ]

Oil
[pka]

4.69±0.10(Predicted)
[color ]

Colourless to Light Yellow
[BRN ]

1747024
[InChI]

InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H,8,9)
[InChIKey]

OFCPMJGTZUVUSM-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCC#C
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 3265 8/PG 3
[WGK Germany ]

3
[F ]

10-23
[HazardClass ]

8
[HS Code ]

29161900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Prallethrin
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

6-Heptynoic acid is used as a precursor for the the preparation of boradiazaindacenes (BODIPY dyes) by reacting with oxalylchloirde. It is used to prepare 4,4-difluoro-8-(hept-6-yne)-3,5-di(2-(4-methoxyphenyl))-4-bora-3a,4a-diaza-sindacene by reacting with 2-(4-methoxyphenyl)-1H-pyrrole.
[Definition]

ChEBI: 6-heptynoic acid is a medium-chain fatty acid.
[General Description]

6-Heptynoic acid is an alkynoic acid with an acetylene bond. It undergoes condensation with various pyrroles to afford optical diverse fluorescent dyes with a terminal alkyne.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Heptynoic acid(30964-00-2)MS
6-Heptynoic acid(30964-00-2)1HNMR
6-Heptynoic acid(30964-00-2)13CNMR
6-Heptynoic acid(30964-00-2)IR1
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