2-CHLORO-5-NITROCINNAMIC ACID
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2-CHLORO-5-NITROCINNAMIC ACID
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CAS No:
36015-19-7
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Formula:
C9H6ClNO4
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Chemical Name:
2-CHLORO-5-NITROCINNAMIC ACID
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Synonyms:
2-CHLORO-5-NITROCINNAMIC ACID;3-(2-CHLORO-5-NITROPHENYL)ACRYLIC ACID;TIMTEC-BB SBB003305;RARECHEM BK HC T333;trans-2-Chloro-5-nitrocinnamic acid;2-Chloro-5-nitrocinnamic acid 97%;2-Chloro-5-nitrocinnamicacid97%;2-Chloro-5-nitrocinnamic acid, predominantly trans, 98%
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CAS No:
Characteristics
83.12000
2.75
light beige crystalline powder
1.5±0.1 g/cm3
218-222 °C
401.7±35.0 °C at 760 mmHg
196.7±25.9 °C
1.663
Safety Information
IRRITANT
36/37/38
24/25
Xi
Irritant
|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:227.60
XLogP3:1.9
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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