1-(3-Bromopropoxy)-4-nitrobenzene
Basic information
- CAS
13094-50-3- Standard SMILES
O=[N+]([O-])c1ccc(OCCCBr)cc1- InChIKey
LIBYGKUWXRBMPA-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO3
- Average molar mass
- 260.08 g/mol
- Monoisotopic mass
- 258.98441
Names & identifiers
- Preferred name
- 1-(3-Bromopropoxy)-4-nitrobenzene
- IUPAC
- 1-(3-bromopropoxy)-4-nitrobenzene
- English name
- 1-(GAMMA-BROMOPROPOXY)-4-NITROBENZENE
- Molecular formula
- C9H10BrNO3
- Molecular weight
- 260.08
Names & synonyms
1-(3-bromopropoxy)-4-nitrobenzene13094-50-3MFCD005966431-(GAMMA-BROMOPROPOXY)-4-NITROBENZENEBenzene, 1-(3-bromopropoxy)-4-nitro-4-(3-Bromopropoxy)nitrobenzeneNSC93035NCIOpen2_005819SCHEMBL519168DTXSID602939313-bromopropyl 4-nitrophenyl etherLIBYGKUWXRBMPA-UHFFFAOYSA-N
Show more names
4-(3-Bromopropoxy)-nitrobenzene3-(4-nitrophenoxy)propyl bromide4-Nitrophenyl 3-bromopropyl ether3-bromopropyl p-nitrophenyl ether3-Bromoprop-1-yl 4-nitrophenyl ether1-(3-Bromopropoxy)-4-nitrobenzene,97%1-(3-Bromopropoxy)-4-nitrobenzene,95%
NSC-93035SBB0553971-(3-bromopropoxy)-4-nitro-benzeneAKOS009157744BS-20460SY173711DB-002346CS-0207484
Database identifiers
- CAS
13094-50-3- PubChem CID
- 261128
- DTXSID
DTXSID60293931- Nikkaji
- J346.352D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 56 · 56-58 °C
- Boiling point
- 175 · 175-177 °C(Press: 2 Torr)
- Density
- 1.6737 · 1.6737 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 36 · 36/37/39-26-22
- Hazard Note
- Irritant
- HS Code
- 2909309090 · 2909309090
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
- 2909309090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 36/37/39-26-22
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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