M-NITROCINNAMIC ACID

Name	m-Nitrocinnamic acid
Synonyms	AKOS B004090 RARECHEM BK HC P253 3-Nitrocinnamic acid m-Nitrocinnamic acid M-NITROCINNAMIC ACID 3'-NITROCINNAMIC ACID OTAVA-BB BB7020401717 LABOTEST-BB LT00005570 TRANS-3-NITROCINNAMIC ACID 3-(3-nitrophenyl)prop-2-enoic acid TRANS-3-(3-NITROPHENYL)ACRYLIC ACID (2E)-3-(3-nitrophenyl)prop-2-enoate TRANS-3-(3-NITROPHENYL)PROPENOIC ACID (2Z)-3-(3-nitrophenyl)prop-2-enoic acid (2E)-3-(3-nitrophenyl)prop-2-enoic acid
CAS	555-68-0
EINECS	209-104-2
InChI	InChI=1/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/p-1/b5-4+

Molecular Formula	C9H7NO4
Molar Mass	193.16
Density	1.4058 (rough estimate)
Melting Point	200-202°C(lit.)
Boling Point	329.36°C (rough estimate)
Flash Point	166.5°C
Vapor Presure	3.39E-06mmHg at 25°C
Appearance	Very yellow solid
Merck	14,6595
BRN	1872713
pKa	pK1:4.12 (25°C)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.5200 (estimate)
MDL	MFCD00007277
Physical and Chemical Properties	There are two kinds of isomers, cis and trans, with the majority in Trans. Trans is a yellow needle-like crystal with a melting point of 200-202 °c. Soluble in ethanol, hot benzene, water-soluble. Sublimation, distillation, micro-decomposition.

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
RTECS	GE0352000
TSCA	Yes
HS Code	29163900
Hazard Class	IRRITANT

NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
purpose	is used in organic synthesis and is an intermediate of diagnostic drug calcium iodopromide.
production method	from the condensation of M-nitrobenzaldehyde and acetic anhydride. The M-nitrobenzaldehyde, acetic anhydride and sodium acetate were added into a dry reaction pot, heated to 170 °c with stirring, and refluxed for 6H. After cooling, the crystals were precipitated, filtered, washed with water and recrystallized from 95% ethanol to obtain m-nitrocinnamic acid. The yield was 75%.

Last Update：2024-04-10 22:40:09

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