Basic information
- CAS
100-12-9- Standard SMILES
CCc1ccc([N+](=O)[O-])cc1- InChIKey
RESTWAHJFMZUIZ-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 4-Ethylnitrobenzene
- IUPAC
- 1-ethyl-4-nitrobenzene
- English name
- ETHYL 4-NITROBENZOATE
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
4-ETHYLNITROBENZENE100-12-91-Ethyl-4-nitrobenzeneBenzene, 1-ethyl-4-nitro-4-NitroethylbenzeneCCRIS 3100p-Ethyl nitro benzeneNSC 858EINECS 202-821-1DTXSID9059206pEthylnitrobenzenepNitroethylbenzene
Show more names
P-ETHYLNITROBENZENE1-ethyl-4-nitro-benzen4-Ethyl-1-nitrobenzeneAKOS B029802P-NITROETHYLBENZENERARECHEM AL BI 0193p-Nitrophenylethane
pNitrophenylethane1Ethyl4nitrobenzeneBenzene, 1ethyl4nitroRefChem:98905DTXCID5032446202-821-1InChI=1/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1HRESTWAHJFMZUIZ-UHFFFAOYSA-N
Database identifiers
- CAS
100-12-9- PubChem CID
- 7480
- DTXSID
DTXSID9059206- UNII
- PF7XXJ3RM4
- EC Number
- 202-821-1
- Nikkaji
- J47.815F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesBoiling point
LogP3.03
Vapor Pressure0.02 [mmHg]
Physical DescriptionClear yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 55 · 55-59 °C(lit.)
- Boiling point
- 245 · 245-246 °C
- Density
- 1.118 · 1.118
- refractive index
- 1.5445 · 1.5445-1.5465
- Flash point
- 117 °C · 117 °C
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 100 · 100-12-9(CAS DataBase Reference)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzene, 1-ethyl-4-nitro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See p-Nitrotoluene, a cause of primary methemoglobinemia.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DH5600000
- ridadr
- 2810
- hs_code
- 29049090
- risk_code
- 52-36/37/38-33-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-ethyl-4-nitro-: INACTIVE
Applications
UsesETHYL 4-NITROBENZOATE is mainly used as an intermediate in the production of chloramphenicol, p-nitroacetophenone, and is also used in other organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers63 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司
Related reactions
8 records
Compound notes
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