CAS Number99277-71-1
SynonymsMFCD01013599; 4-Bromo-2-nitrobenzoic acid; 2-nitro-4-bromobenzoic acid; F9995-0102; 4-Brom-2-nitro-benzoesaeure; WNR CE FVQ; 4-Bromo-2-nitrobenzoicacid
Molecular FormulaCH3OC6H3(NO2)CO2H
Molecular Weight197.14
Purity98%
Density1.9±0.1 g/cm3
Boiling Point368.6±32.0 °C at 760 mmHg
Melting Point146-148 °C (lit.)
AppearanceWhite - slightly light yellow
EINECS219-998-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 99277-71-1 |
| Catalog No. | 2A-9005373 |
| Chinese Name | 2-硝基-4-溴苯甲酸 |
| Synonyms | MFCD01013599; 4-Bromo-2-nitrobenzoic acid; 2-nitro-4-bromobenzoic acid; F9995-0102; 4-Brom-2-nitro-benzoesaeure; WNR CE FVQ; 4-Bromo-2-nitrobenzoicacid |
| Molecular Formula | CH3OC6H3(NO2)CO2H |
| Molecular Weight | 197.14 |
| Purity | 98 |
| Density | 1.9±0.1 g/cm3 |
| Boiling Point | 368.6±32.0 °C at 760 mmHg |
| Melting Point | 146-148 °C (lit.) |
| Appearance | White - slightly light yellow |
| Storage Condition | Sealed and stored in a cool, dry warehouse. Keep a |
| Packaging | III |
| Application | 4-Bromo-2-nitrobenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. |
| EINECS | 219-998-6 |
| HTC | 2916399090 |
| PubChem ID | 24866465 |
| MDL Number | MFCD00216573 |
| SMILES | COc1cc(ccc1C(O)=O)[N+]([O-])=O |
| InChI | 1S/C8H7NO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | KPJXEWJRJKEOCD-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 9.0 |
| MSDS | msds/5373_1_99277_71_1.pdf |
| Bioactivity | 4-Bromo-2-nitrobenzoic acid 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 4-Bromo-2-nitrobenzoic acid (CAS# 99277-71-1) is an intermediate in the synthesis of the potential anticancer agent Lonafarnib (L469445). Chemical & Physical Properties Density 1.9±0.1 g/cm3 Boiling Point 368.6±32.0 °C at 760 mmHg Melting Point 165-169 °C Molecular Formula C7H4BrNO4 Molecular Weight 246.01 Flash Point 176.7±25.1 °C Exact Mass 244.932358 PSA 83.12000 LogP 2.33 Vapor Pressure 0.0±0.9 mmHg at 25°C Index of Refraction 1.650 InChIKey ZIRHHEZLJGORGU-UHFFFAOYSA-N SMILES O=C(O)c1ccc(Br)cc1[N+](=O)[O-] |
| Use of | 4-Bromo-2-nitrobenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. related research. Related Catalog Research Areas >> Others In Vitro 4-Bromo-2-nitrobenzoic acid (CAS# 99277-71-1) is an intermediate in the synthesis of the potential anticancer agent Lonafarnib (L469445). Chemical & Physical Properties Molecular Formula C7H4BrNO4 Exact Mass 244.932358 PSA 83.12000 Index of Refraction 1.650 InChIKey ZIRHHEZLJGORGU-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4-Bromo-2- nitrobenzoic acid) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4-Bromo-2- nitrobenzoic acid) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (4-Bromo-2-nitrobenzoic acid) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special precautions for users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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