m-Nitrocinnamic acid
m-Nitrocinnamic acid
CAS: 555-68-0
Molecular Formula: C9H7NO4
m-Nitrocinnamic acid - Names and Identifiers
| 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+ |
m-Nitrocinnamic acid - Physico-chemical Properties
| 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. |
m-Nitrocinnamic acid - Risk and Safety
| 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 |
m-Nitrocinnamic acid - Reference Information
| 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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