≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504757109 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757109 |
| 정식 스마일 | C1=CC=C(C(=C1)N=C=O)Br |
| IUPAC Name | 1-bromo-2-isocyanatobenzene |
| InChIKey | GOOVAYJIVMBWPP-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
| 이성체 SMILES | C1=CC=C(C(=C1)N=C=O)Br |
| WGK 독일 | 3 |
| 분자량 | 198.02 |
| Reaxy-Rn | 3588447 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3588447&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bromobenzenes |
| Alternative Parents | Aryl bromides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Aryl bromide - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 G2226200 | Certificate of Analysis | Mar 11, 2026 | B153169 |
| G2226201 | Certificate of Analysis | Mar 11, 2026 | B153169 |
| G2226202 | Certificate of Analysis | Mar 11, 2026 | B153169 |
| J1928199 | Certificate of Analysis | Feb 08, 2025 | B153169 |
| 감도 | Heat sensitive;Moisture sensitive |
|---|---|
| 굴절률 | 1.5820 to 1.5850 |
| 발화점(°F) | 226.4 °F |
| 발화점(°C) | 107°C |
| 끓는점(°C) | 56-58 °C/0.05 mmHg |
| 분자량 | 198.020 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 196.948 Da |
| Monoisotopic Mass | 196.948 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
