≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature 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.
2-Bromophenyl isothiocyanate has been used in the synthesis of 4-monosubstituted and 4,4-disubstituted 1,4-dihydro-3,1-benzoxazine-2-thiones.
| Pubchem Sid | 508808390 |
|---|---|
| 정식 스마일 | C1=CC=C(C(=C1)N=C=S)Br |
| IUPAC Name | 1-bromo-2-isothiocyanatobenzene |
| InChIKey | PAFORXDSYWMYGP-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
| 이성체 SMILES | C1=CC=C(C(=C1)N=C=S)Br |
| WGK 독일 | 3 |
| 분자량 | 214.08 |
| Beilstein | 2802536 |
| Reaxy-Rn | 2802536 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802536&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 Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Aryl halide - Aryl bromide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen 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 |
|---|---|---|---|
 I2425147 | Certificate of Analysis | Sep 09, 2026 | B140603 |
| I2425148 | Certificate of Analysis | Sep 09, 2026 | B140603 |
| I2425149 | Certificate of Analysis | Sep 09, 2026 | B140603 |
| G2228613 | Certificate of Analysis | Sep 09, 2026 | B140603 |
| G2228615 | Certificate of Analysis | Sep 09, 2026 | B140603 |
| L2208402 | Certificate of Analysis | Jul 17, 2024 | B140603 |
| L2208617 | Certificate of Analysis | Jul 17, 2024 | B140603 |
| L2208636 | Certificate of Analysis | Jul 17, 2024 | B140603 |
| I2117056 | Certificate of Analysis | Oct 15, 2022 | B140603 |
| G2206475 | Certificate of Analysis | Aug 12, 2022 | B140603 |
| 감도 | Moisture Sensitive |
|---|---|
| 굴절률 | 1.6843 |
| 발화점(°F) | >230°F |
| 발화점(°C) | >110℃ |
| 끓는점(°C) | 118°C/8mmHg |
| 분자량 | 214.080 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.925 Da |
| Monoisotopic Mass | 212.925 Da |
| Topological Polar Surface Area | 44.500 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 |
