C7H8
97.17 g/mol
Research ReagentDanger
1,2,3,4,5-pentadeuterio-6-methylbenzene
CAS1603-99-2
Category
Research Reagent
Compound Class
Aromatic
Primary Use
Research Compound
1,2,3,4,5-Pentadeuterio-6-methylbenzene is a deuterated analytical standard that serves as an isotopically labeled reference compound for quantitative analysis. Its structure features a methyl-substituted aromatic ring where five hydrogen atoms are replaced by deuterium, making it valuable for mass spectrometry and nuclear magnetic resonance spectroscopy calibration.
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Safety Reference
Danger
H225Highly flammable liquid and vapour
H304May be fatal if swallowed and enters airways
H315Causes skin irritation
H336May cause drowsiness or dizziness
H361Suspected of damaging fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
Customs Tariff Classification
The international HS code for 1,2,3,4,5-pentadeuterio-6-methylbenzene (CAS 1603-99-2) is 2845.90.
HS code (international, 6-digit)
2845.90
EU CN code (8-digit)
2845 90 10
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
1,2,3,4,5-pentadeuterio-6-methylbenzene
InChIKey
YXFVVABEGXRONW-VIQYUKPQSA-N
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C)[2H])[2H]
Synonyms (6)
- TOLUENE (RING-D5)
- Toluene (Ring-D5, 98%)
- Toluene-2,3,4,5,6-d5
- Toluene-d5 (DISCONTINUED)
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