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About This Item
Linear Formula:
ClCH2CH(OH)CH2CN
CAS Number:
Molecular Weight:
119.55
UNSPSC Code:
12352101
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1700586
Assay:
97%
InChI
1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m1/s1
SMILES string
O[C@@H](CCl)CC#N
InChI key
LHBPNZDUNCZWFL-SCSAIBSYSA-N
assay
97%
optical activity
[α]25/D +11.0°, neat
bp
110 °C/1 mmHg (lit.)
density
1.250 g/mL at 20 °C (lit.)
Application
(-)-Carnitine and (-)-γ-amino-β-hydroxybutyric acid have been prepared using this synthon.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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H.C. Kolb et al.
Tetrahedron Asymmetry, 4, 133-133 (1993)
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