2-(Chloromethyl)-5-nitrofuran
Basic information
- CAS
4098-31-1- Standard SMILES
O=[N+]([O-])c1ccc(CCl)o1- InChIKey
DSOVMPOIRQWUJM-UHFFFAOYSA-N- Molecular formula
- C5H4ClNO3
- Average molar mass
- 161.54 g/mol
- Monoisotopic mass
- 160.9879707
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5-nitrofuran
- IUPAC
- 2-(chloromethyl)-5-nitrofuran
- English name
- 2-(chloromethyl)-5-nitro-furan
- Molecular formula
- C5H4ClNO3
- Molecular weight
- 161.54
Names & synonyms
2-(chloromethyl)-5-nitrofuran4098-31-1DTXSID70291266RefChem:253547DTXCID302424112-(chloromethyl)-5-nitro-furanNSC746212-chloromethyl-5-nitrofuranSCHEMBL6729712NSC 74621NSC-74621AKOS006221695
Show more names
Furan, 2-(chloromethyl)-5-nitro-
Database identifiers
- CAS
4098-31-1- PubChem CID
- 252555
- DTXSID
DTXSID70291266- EC Number
- 809-457-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 6 Torr)
- Density
- 1.429 g/cm3 · 1.429 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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Related reactions
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Compound notes
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