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1,6-Heptadiene 99%

CAT: 0286-H01050-01Size: 1 mLDry Ice: NoHazardous: Yes
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CAT#:0286-H01050-01Size:1 mL
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CAS Number
3070-53-9
UN Code
UN3295
Pictogram
02 - Flammable; 07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00008667
Hazard Statement
H225 Highly flammable liquid and vapor; H304 May be fatal if swallowed and enters airways; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Hydrocarbons, Liquid, N.O.S.
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P331 Do NOT induce vomiting; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

1,6-Heptadiene
CAS Number3070-53-9
PubChem CID16968
IUPAC Namehepta-1,6-diene
Molecular FormulaC7H12
Molecular Weight96.17
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity45
SMILES
C=CCCCC=C
InChI
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2
InChIKey
GEAWFZNTIFJMHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,6-Heptadiene
CAS: 3070-53-9
CID: 16968
Formula: C7H12
MW: 96.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.17
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass96.093900383
Monoisotopic Mass96.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity45.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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