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About This Item
Linear Formula:
C6H513CHO
CAS Number:
Molecular Weight:
107.11
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
178-179 °C (lit.)
mp
−26 °C (lit.)
density
1.055 g/mL at 25 °C
mass shift
M+1
SMILES string
[H][13C](=O)c1ccccc1
InChI
1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1
InChI key
HUMNYLRZRPPJDN-PTQBSOBMSA-N
signalword
Danger
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
145.0 °F - closed cup
flash_point_c
62.8 °C - closed cup
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