3-Butoxypropanenitrile
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3-Butoxypropanenitrile
structure -
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CAS No:
6959-71-3
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Formula:
C7H13NO
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Chemical Name:
3-Butoxypropanenitrile
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Synonyms:
Propanenitrile,3-butoxy-;Propionitrile,3-butoxy-;3-Butoxypropanenitrile;3-Butoxypropionitrile;β-Butoxypropionitrile;NSC 65452
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CAS No:
3-Butoxypropanenitrile Basic Attributes
127.18
127.18
1747904
230-153-0
65452
DTXSID8064519
29269090
Characteristics
33
1.16
0.8616 g/cm3
170-172 °C @ Press: 750 Torr
193 °F
1.417
Oral-rat LD50: 7460 mg/kg; Abdominal cavity-mouse LDL0: 500 mg/kg
Thermal decomposition releases toxic cyanide, nitrogen oxide fumes
Safety Information
III
6.1
3276
2
20/21/22-36/37/38
26-36/37/39
UG1225000
Xi
Warehouse ventilated, low temperature and dry
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:127.18
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:127.099714038
Monoisotopic Mass:127.099714038
Topological Polar Surface Area:33
Heavy Atom Count:9
Complexity:92.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
