Basic information
- CAS
3460-20-6- Standard SMILES
O=[N+]([O-])c1cc(Br)c(Br)c(Br)c1- InChIKey
AKLYERMMCABILW-UHFFFAOYSA-N- Molecular formula
- C6H2Br3NO2
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 356.76357
Names & identifiers
- Preferred name
- 1,2,3-Tribromo-5-nitrobenzene
- IUPAC
- 1,2,3-tribromo-5-nitrobenzene
- English name
- 1,2,3-TribroMo-5-nitrobenzene
- Molecular formula
- C6H2Br3NO2
- Molecular weight
- 359.8
Names & synonyms
1,2,3-tribromo-5-nitrobenzene3460-20-63,4,5-TribromonitrobenzeneC6H2Br3NO2Benzene, 1,2,3-tribromo-5-nitro-MFCD026574891,2,3-tribromo-5-nitro-benzeneSCHEMBL9713789DTXSID80188173AKLYERMMCABILW-UHFFFAOYSA-NDAA46020STL089894
Show more names
3,4,5-Tribromnitrobenzen
AKOS003626439DB-201272CS-0234200EN300-139609G23830F652305doi:10.14272/AKLYERMMCABILW-UHFFFAOYSA-N.1InChI=1/C6H2Br3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2
Database identifiers
- CAS
3460-20-6- PubChem CID
- 640602
- DTXSID
DTXSID80188173- Nikkaji
- J1.658.827J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 112 °C · 112°C
- Boiling point
- 344.48 °C · 344.48°C (estimate)
- Density
- 2.401 · 2.4010 (rough estimate)
- refractive index
- 1.668 · 1.6680 (estimate)
Chemistry & industry
Applications
Uses1,2,3-Tribromo-5-nitrobenzene is used as a reagent to synthesize various polybrominated biphenyls to use as fire retardents.
Upstream & downstream products
Downstream products
Suppliers10 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司
Related reactions
4 records
Compound notes
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