362468
4-Nitrocinnamyl alcohol
98%
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About This Item
Linear Formula:
O2NC6H4CH=CHCH2OH
CAS Number:
Molecular Weight:
179.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+
SMILES string
OC\C=C\c1ccc(cc1)[N+]([O-])=O
InChI key
LGXXEDSIJZHDBN-OWOJBTEDSA-N
assay
98%
mp
127-128 °C (lit.)
functional group
hydroxyl, nitro
General description
4-Nitrocinnamyl alcohol is a substituted benzyl alcohol. 4-Nitrocinnamyl alcohol is reported to undergo chlorination with tosyl chloride (TsCl) to give 4-nitrocinnamyl chloride.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Rui Ding et al.
Molecules (Basel, Switzerland), 16(7), 5665-5673 (2011-07-05)
Treatment of substituted benzyl alcohols with tosyl chloride resulted in the formation of the corresponding chlorides, not the usual tosylates. A series of experiments demonstrated that it was possible to predict whether chlorination or tosylation would occur for substituted benzyl
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