CAS 99-61-6|3-Nitrobenzaldehyde
Introduction：Basic information about CAS 99-61-6|3-Nitrobenzaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Nitrobenzaldehyde | ||
|---|---|---|---|
| CAS Number | 99-61-6 | Molecular Weight | 151.12 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 264.5±23.0 °C at 760 mmHg |
| Molecular Formula | C7H5NO3 | Melting Point | 56 °C |
| MSDS | ChineseUSA | Flash Point | 128.6±15.4 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 3-Nitrobenzaldehyde |
|---|---|
| Synonym | More Synonyms |
3-Nitrobenzaldehyde BiologicalActivity
| Description | 3-Nitrobenzaldehyde is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | Research Areas >>Others |
| In Vitro | 3-硝基苯甲醛用于合成其他有机化合物，范围从药物到塑料添加剂和香料和调味化合物加工的中间体，以及某些苯胺染料的制备。 |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 264.5±23.0 °C at 760 mmHg |
| Melting Point | 56 °C |
| Molecular Formula | C7H5NO3 |
| Molecular Weight | 151.12 |
| Flash Point | 128.6±15.4 °C |
| Exact Mass | 151.026947 |
| PSA | 62.89000 |
| LogP | 1.75 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.618 |
| InChIKey | ZETIVVHRRQLWFW-UHFFFAOYSA-N |
| SMILES | O=Cc1cccc([N+](=O)[O-])c1 |
| Storage condition | ?20°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 5 mg/disc
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8970 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)
- TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 5 mg/disc
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8970 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S24/25-S61-S37/39-S29 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | CU7250000 |
| HS Code | 2913000090 |
Customs
| HS Code | 2913000090 |
|---|---|
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
Articles3
More Articles| A study on quantum chemical calculations of 3-, 4-nitrobenzaldehyde oximes. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 79(5) , 1783-93, (2011) The molecular geometry, vibrational frequencies, 1H and 13C NMR chemical shifts, UV-vis spectra, HOMO-LUMO analyses, molecular electrostatic potentials (MEPs), , thermodynamic properties and atomic ch... | |
| Genotoxic activity of m-nitrobenzaldehyde. Mutat. Res. 175(3) , 133-7, (1986) m-Nitrobenzaldehyde (MNB) was evaluated for mutagenic activity using the Ames microbial mutagenicity test and for its ability to induce DNA single-strand breaks in rat hepatocytes as measured by alkal... | |
| FT-IR, FT-Raman spectra, NBO, HOMO-LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations. Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 98 , 229-39, (2012) FT-IR (4000-400 cm(-1)) and FT-Raman (3500-100 cm(-1)) spectral measurements of 4-chloro-3-nitrobenzaldehyde have been done. Ab initio (HF/6-311+G(d,p)) and DFT (B3LYP/6-311+G(d,p)) calculations have ... |
Synonyms
| Benzaldehyde,m-nitro |
| 3-Formylnitrobenzene |
| 3-NO2-benzaldehyde |
| Benzaldehyde,3-nitro |
| 3-mononitrobenzaldehyde |
| m-nitro-benzaldehyde |
| MFCD00007249 |
| Benzaldehyde, m-nitro- |
| 5-Nitrobenzaldehyde |
| Benzaldehyde, 3-nitro- |
| 3-nitro-benzaldehyde |
| Nitrobenzaldehyde |
| WNR CVH |
| EINECS 202-772-6 |
| meta-Nitrobenzaldehyde |
