1-Chloro-2-ethyl-5-nitrobenzene
Basic information
- CAS
42782-54-7- Standard SMILES
CCc1ccc([N+](=O)[O-])cc1Cl- InChIKey
YOIYZHDXMDAXOA-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- 1-Chloro-2-ethyl-5-nitrobenzene
- IUPAC
- 2-chloro-1-ethyl-4-nitrobenzene
- English name
- 3-Chloro-4-ethylnitrobenzene
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
42782-54-7RefChem:4312051-Chloro-2-ethyl-5-nitrobenzene668-015-03-Chloro-4-ethylnitrobenzene2-chloro-1-ethyl-4-nitrobenzeneMFCD000345292-chloro-1-ethyl-4-nitro-benzeneSCHEMBL7786691SCHEMBL28978217YOIYZHDXMDAXOA-UHFFFAOYSA-NAKOS024324417
Show more names
Benzene, 2-chloro-1-ethyl-4-nitro-
DB-304535CS-0296549EN300-206079F83541F709547
Database identifiers
- CAS
42782-54-7- PubChem CID
- 4113449
- EC Number
- 668-015-0
- Nikkaji
- J1.417.519I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 140 · 140-155 °C(Press: 18 Torr)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3-Chloro-4-ethylnitrobenzene is used in the synthesis of glycine receptor antagonists in the treatment of ischemia and stroke.
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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