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Home> Hot Product Listed S   > STOCK4S-02275
917-92-0 structure

STOCK4S-02275

Iupac Name:3,3-dimethylbut-1-yne
CAS No.:917-92-0
Molecular Weight:82.146
Molecular Formula:C21H25N3O3 (isomer)
Names and Identifiers
Synonyms

1-[(3,4-dimethoxybenzyl)oxy]-3-(4-fluorophenyl)quinoxalin-2(1h)-one 4-oxide 1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-fluorophenyl)-4-oxidoquinoxalin-4-ium-2-one AC1LSSBJ AKOS005226638 MOLPORT-000-838-124 STK555483 ZINC1410146

Inchi
InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
InChkey
PPWNCLVNXGCGAF-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C#C
Properties
Melting Point
-78℃
Vapour
7.88 psi ( 20 °C)
Refractive Index
1.373-1.375
Safety and Handling
Risk Statements
R12;R36/37/38
Safety Statements
S3;S16;S26;S33;S7/9
HazardClass
3
PackingGroup
I
Transport
UN 3295
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Derivados Químicos S.A. 2017
Gedeon Richter Plc. 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H402 Harmful to aquatic life

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:82.146g/mol
  • Molecular Formula:C21H25N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:82.078
  • Monoisotopic Mass:82.078
  • Complexity:73.9
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADgCAAAACAAAAAABA GAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
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  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
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