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About This Item
Empirical Formula (Hill Notation):
C9H8O
CAS Number:
Molecular Weight:
132.16
UNSPSC Code:
12352003
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
3195857
Assay:
≥99.0% (sum of enantiomers, GC)
Form:
liquid
Quality Segment
assay
≥99.0% (sum of enantiomers, GC)
form
liquid
optical activity
[α]20/D −28±2°, c = 3.2% in chloroform
optical purity
enantiomeric ratio: ≥96:4 (HPLC)
refractive index
n20/D 1.551
density
1.067 g/mL at 20 °C (lit.)
functional group
hydroxyl, phenyl
SMILES string
O[C@H](C#C)c1ccccc1
InChI
1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1
InChI key
UIGLAZDLBZDVBL-SECBINFHSA-N
Other Notes
Chiral building block; synthesis of substituted allenes
Disclaimer
may discolor to yellow during storage
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
210.2 °F - closed cup
flash_point_c
99 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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