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Home> Hot Product Listed C   > CHEMDIV1_007620
109-67-1 structure

CHEMDIV1_007620

Iupac Name:pent-1-ene
CAS No.:109-67-1
Molecular Weight:70.13
Molecular Formula:C25H23CLN4O3S (isomer)
Names and Identifiers
Synonyms

5-[3-(2,3-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid 5-[5-(2,3-dimethoxyphenyl)-3-phenyl(2-pyrazolinyl)]-5-oxopentanoic acid 5-[5-(2,3-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl]-5-oxopentanoic acid 5-[5-(2,3-dimethoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-5-oxo-pentanoic a AB00142595-02 AC1MJV6E AKOS000638791 AKOS016037820 BAS 02859417 CCG-109302 HMS608K08 MCULE-7672167083 MOLPORT-001-984-947 OPREA1_235054 OPREA1_745902 sr-01000466608 SR-01000466608-1 ST50267240 T5603876

Inchi
InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
InChkey
YWAKXRMUMFPDSH-UHFFFAOYSA-N
Canonical Smiles
CCCC=C
Properties
Melting Point
-165 °C
Vapour
10.27 psi ( 20 °C)
Refractive Index
n20/D 1.371(lit.)
HS Code
29321900
Safety and Handling
Risk Statements
12-52/53-65
Safety Statements
61-62-16
PackingGroup
I
Transport
UN 1108 3/PG 1
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 1

Aspiration hazard, Category 1

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)

H224 Extremely flammable liquid and vapour

H304 May be fatal if swallowed and enters airways

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.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P331 Do NOT induce vomiting.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:70.13g/mol
  • Molecular Formula:C25H23CLN4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:70.078
  • Monoisotopic Mass:70.078
  • Complexity:21.2
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:5
  • 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: AAADccBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACA ACBCAAAAAAAgAAAIAAAAAAgAAAAAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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