4-Chloro-3-nitrocinnamic acid
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4-Chloro-3-nitrocinnamic acid
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CAS No:
20797-48-2
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Formula:
C9H6ClNO4
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Chemical Name:
4-Chloro-3-nitrocinnamic acid
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Synonyms:
4-CHLORO-3-NITROCINNAMIC ACID;3-(4-CHLORO-3-NITROPHENYL)ACRYLIC ACID;RARECHEM BK HW 0228;TIMTEC-BB SBB003306;TRANS-4-CHLORO-3-NITROCINNAMIC ACID;tert-4-Chloro-3-nitrocinnamic acid;4-Chloro-3-nitrocinnamic acid 97%;trans-4-Chloro-3-nitrocinnamic acid ,97%
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CAS No:
Characteristics
83.1
2.63
Little yellow crystal
1.5±0.1 g/cm3
188-190 °C(lit.)
408.6±35.0 °C at 760 mmHg
200.9±25.9 °C
1.663
2.08E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
24/25
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:227.60
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:226.9985354
Monoisotopic Mass:226.9985354
Topological Polar Surface Area:83.1
Heavy Atom Count:15
Complexity:286
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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