CAS 7567-63-7|1,3,5-triethynylbenzene|1,3,5-Triethynylbenzene|1,3,5-triethynylbenzene|1,3,5-三乙炔苯|1,3,5-Triethynylbenzene

Molecular Formula

C₁₂H₆

Molecular Mass

150.17604

Exact Mass

150.04695019

InChI

InChI=1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H

InChIKey

ZDRMMTYSQSIGRY-UHFFFAOYSA-N

Canonic Smiles

C#Cc1cc(C#C)cc(c1)C#C

Isomeric Smiles

C#Cc1cc(cc(c1)C#C)C#C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4257517

LogD (pH = 7.4)

2.4257517

Log P

2.4257517

Molar Refractivity

41.5749

Polarizability

18.109901

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

139048

IUPAC Traditional name

1,3,5-triethynylbenzene

Synonyms

1,3,5-Triethynylbenzene1,3,5-三乙炔苯1,3,5-Triethynylbenzene

IUPAC name

1,3,5-triethynylbenzene

CAS Number

7567-63-7

MDL Number

MFCD00068621

PubChem SID

162041389

Safety Information

Storage Warning

Flammable/Irritant

TSCA Listed

否

GHS Precautionary statements

P210-P241-P305+P351+P338-P302+P352-P405-P501A

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

H228-H315-H319-H335

7-26-33-37-43-60

4.1

Irritant (Xi)

UN1325

III

10-36/37/38

Physical Property

105-107°C

Product Information

98%

97%

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Academic Data

PubChem

139048

IUPAC Traditional name

1,3,5-triethynylbenzene

Synonyms

1,3,5-Triethynylbenzene1,3,5-三乙炔苯1,3,5-Triethynylbenzene

IUPAC name

1,3,5-triethynylbenzene

CAS Number

7567-63-7

MDL Number

MFCD00068621

PubChem SID

162041389

No Data Available

Click here to submit data

Safety Information

Storage Warning

Flammable/Irritant

TSCA Listed

否

GHS Precautionary statements

P210-P241-P305+P351+P338-P302+P352-P405-P501A

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

H228-H315-H319-H335

7-26-33-37-43-60

4.1

Irritant (Xi)

UN1325

III

10-36/37/38

Physical Property

105-107°C

Product Information

98%

97%

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

Molecule

ID:76485