Phenylmethyl carbonocyanidate
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Phenylmethyl carbonocyanidate
structure -
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CAS No:
5532-86-5
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Formula:
C9H7NO2
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Chemical Name:
Phenylmethyl carbonocyanidate
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Synonyms:
Carbonocyanidic acid,phenylmethyl ester;Formic acid,cyano-,benzyl ester;Phenylmethyl carbonocyanidate;Benzyl cyanoformate
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CAS No:
Characteristics
50.09000
1.25338
1.105 g/mL at 25ºC(lit.)
80 °C @ Press: 2.5 Torr
220 °F
n20/D 1.505(lit.)
2-8°C
Safety Information
III
6.1(b)
UN 2927 6.1/PG 2
3
23/24/25-34
26-36/37/39-45
T
P261-P280-P301 + P310-P305 + P351 + P338-P310
H301 + H311 + H331-H314
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:161.16
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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