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1,2,3-Trimethylbenzene Tech. Grade

CAT: 0286-T26695-01Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0286-T26695-01Size:25 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
526-73-8
UN Code
UN3295
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008520
Hazard Statement
H226 Flammable liquid and vapor; 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
Hydrocarbons, Liquid, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

1,2,3-Trimethylbenzene

1,2,3-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. It has a role as a neurotoxin and a plant metabolite.

CAS Number526-73-8
PubChem CID10686
IUPAC Name1,2,3-trimethylbenzene
Molecular FormulaC9H12
Molecular Weight120.19
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity76
SMILES
CC1=C(C(=CC=C1)C)C
InChI
InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChIKey
FYGHSUNMUKGBRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3-Trimethylbenzene
CAS: 526-73-8
CID: 10686
Formula: C9H12
MW: 120.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.19
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass120.093900383
Monoisotopic Mass120.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity76
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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