1,5-Dibromo-3-fluoro-2-isothiocyanatobenzene
Basic information
- CAS
244022-67-1- Standard SMILES
Fc1cc(Br)cc(Br)c1N=C=S- InChIKey
VDTMHXBNLSMARZ-UHFFFAOYSA-N- Molecular formula
- C7H2Br2FNS
- Average molar mass
- 310.97 g/mol
- Monoisotopic mass
- 308.82587
Names & identifiers
- Preferred name
- 1,5-Dibromo-3-fluoro-2-isothiocyanatobenzene
- IUPAC
- 1,5-dibromo-3-fluoro-2-isothiocyanatobenzene
- English name
- 2,4-Dibromo-6-fluorophenyl isothiocyanate
- Molecular formula
- C7H2Br2FNS
- Molecular weight
- 310.97
Names & synonyms
244022-67-12,4-Dibromo-6-fluorophenyl isothiocyanate1,5-dibromo-3-fluoro-2-isothiocyanatobenzene2,4-Dibromo-6-fluorophenylisothiocyanateMFCD00832697SCHEMBL2892526DTXSID50371590AKOS030231094AS-9312SY229417DB-0156411,5-dibromo-3-fluoro-2-isothiocyanato-benzene
Show more names
2,4-Dibromo-6-fluorophenylisothiocyanate97%Benzene, 1,5-dibromo-3-fluoro-2-isothiocyanato-
Database identifiers
- CAS
244022-67-1- PubChem CID
- 2736771
- DTXSID
DTXSID50371590
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Sensitive
- Stench
- CAS DataBase Reference
- 244022 · 244022-67-1
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Stench
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- hazard_code
- Xi
- hazard_note
- Irritant/Stench
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Related reactions
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Compound notes
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