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About This Item
Linear Formula:
13CC5H6
CAS Number:
Molecular Weight:
79.10
NACRES:
NA.12
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
Isotopic purity:
99 atom % 13C
Assay:
99% (CP)
Mass shift:
M+1
isotopic purity
99 atom % 13C
Quality Segment
assay
99% (CP)
refractive index
n
bp
80 °C (lit.)
mp
5.5 °C (lit.)
density
0.885 g/mL at 25 °C
mass shift
M+1
SMILES string
c1cc[13cH]cc1
InChI
1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1+1
InChI key
UHOVQNZJYSORNB-OUBTZVSYSA-N
signalword
Danger
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
target_organs
Blood
Storage Class
3 - Flammable liquids
flash_point_f
12.2 °F - closed cup
flash_point_c
-11 °C - closed cup
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