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604399

Sigma-Aldrich

Phenylacetylene-2-13C

99 atom % 13C

Synonym(s):

13C Labeled phenylacetylene, Ethynyl-2-13C-benzene

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About This Item

Linear Formula:
C6H5C≡13CH
CAS Number:
54522-92-8
Molecular Weight:
103.13
MDL number:
MFCD00190345
UNSPSC Code:
12352101
PubChem Substance ID:
329758984
NACRES:
NA.12

isotopic purity

99 atom % 13C

Quality Level

200

Assay

99% (CP)

bp

142-144 °C (lit.)

density

0.939 g/mL at 25 °C

mass shift

M+1

SMILES string

[13CH]#Cc1ccccc1

InChI

1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H/i1+1

InChI key

UEXCJVNBTNXOEH-OUBTZVSYSA-N

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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

Acute Tox. 4 Oral - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

80.6 °F

Flash Point(C)

27 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD5044
MBBB2803V
EB2202
CX1567
11204AE

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