Basic information
- CAS
4337-22-8- Standard SMILES
O=C(OCCCCCCl)c1ccc([N+](=O)[O-])cc1- InChIKey
ICQZLWQDVROUEC-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Names & identifiers
- Preferred name
- 5-Chloropentyl 4-nitrobenzoate
- IUPAC
- 5-chloropentyl 4-nitrobenzoate
- English name
- 5-Chloropentyl 4-nitrobenzoate
- Molecular formula
- C12H14ClNO4
- Molecular weight
- 271.7
Names & synonyms
5-chloropentyl 4-nitrobenzoate4337-22-8DTXSID20962999RefChem:534982DTXCID801390771654-392-9NSC44293NSC-44293AKOS0243325275-Chloropentyl-p-nitrobenzoat1-Pentanol, 5-chloro-, 1-(4-nitrobenzoate)
Database identifiers
- CAS
4337-22-8- PubChem CID
- 239339
- DTXSID
DTXSID20962999- EC Number
- 654-392-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 29 °C · 29 °C
- Boiling point
- 185 · 185-190 °C
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-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 38 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
- H302-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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