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1,9-Nonanedithiol 97%

CAT: 0286-N13530-02Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-N13530-02Size:5 g
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CAS Number
3489-28-9
UN Code
UN3334
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004914
Hazard Statement
H302 Harmful if swallowed; 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
Aviation Regulated Liquid, N.O.S.
DOT Classification
Class 9
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1,9-Nonanedithiol

1,9-Nonanedithiol is an alkanethiol.

CAS Number3489-28-9
PubChem CID248488
IUPAC Namenonane-1,9-dithiol
Molecular FormulaC9H20S2
Molecular Weight192.4
XLogP3.9
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity56
SMILES
C(CCCCS)CCCCS
InChI
InChI=1S/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKey
GJRCLMJHPWCJEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,9-Nonanedithiol
CAS: 3489-28-9
CID: 248488
Formula: C9H20S2
MW: 192.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass192.10064299
Monoisotopic Mass192.10064299
Topological Polar Surface Area2 Ų
Heavy Atom Count11
Formal Charge0
Complexity56.6
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