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606669

Sigma-Aldrich

Toluene-4-13C

99 atom % 13C

Synonym(s):

Methylbenzene-4-13C

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About This Item

Empirical Formula (Hill Notation):
13CC6H8
CAS Number:
78218-02-7
Molecular Weight:
93.13
MDL number:
MFCD04118204
UNSPSC Code:
12352002
PubChem Substance ID:
329759147

isotopic purity

99 atom % 13C

bp

110 °C (lit.)

mp

-93 °C (lit.)

density

0.874 g/mL at 25 °C

mass shift

M+1

SMILES string

Cc1cc[13cH]cc1

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1

InChI key

YXFVVABEGXRONW-VQEHIDDOSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

39.2 °F

Flash Point(C)

4 °C

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Certificates of Analysis (COA)

Lot/Batch Number
TJ2092

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