CAS 21792-52-9 1,2-Diethynylbenzene (HCID 140862)

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Basic information

CAS: 21792-52-9
Standard SMILES: C#Cc1ccccc1C#C
InChIKey: CBYDUPRWILCUIC-UHFFFAOYSA-N
Molecular formula: C10H6
Average molar mass: 126.15 g/mol
Monoisotopic mass: 126.04695019

Names & identifiers

Preferred name: 1,2-Diethynylbenzene
IUPAC: 1,2-diethynylbenzene
English name: Benzene, 1,2-diethynyl- (9CI)
Molecular formula: C10H6
Molecular weight: 126.15

Names & synonyms

1,2-Diethynylbenzene21792-52-9DTXSID50176204RefChem:1052256DTXCID4098695Benzene, 1,2-diethynyl-MFCD28164040o-diethynylbenzeneBenzene,1,2-diethynyl-SCHEMBL28870SCHEMBL207404SCHEMBL2188447

Show more names

Benzene, 1,2-diethynyl- (9CI)1,2-Diethynylbenzene - [D94231]

SCHEMBL2190343SCHEMBL5475379SCHEMBL2954928326776-82-9SY273915DB-342241CS-0449634E84598

Database identifiers

CAS: 21792-52-9、26776-82-9
PubChem CID: 140862
DTXSID: DTXSID50176204
Nikkaji: J83.100J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: -20 °C · -20 °C
Boiling point: 82 °C · 82 °C(Press: 14 Torr)
Density: 0.9788 g/cm3 · 0.9788 g/cm3(Temp: 17.5 °C)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338-P362+P364
HS Code: 2902900000 · 2902900000

Safety & regulation

Safety data

hs_code: 2902900000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P302+P352-P305+P351+P338-P362+P364

Chemistry & industry

Suppliers30 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海药森生物科技有限公司18916117619 18916117619

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

7 records

New reaction record

HRID 839775As productuspto-grants-1978_06

HRID 839776As reactantuspto-grants-1978_06

HRID 1112290As reactantuspto-grants-1978_10

HRID 1834362As reactantuspto-grants-1978_01

HRID 2398929As reactantuspto-grants-1977_05

HRID 2398930As reactantuspto-grants-1977_05

HRID 2398931As reactantuspto-grants-1977_05

Compound notes

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