Basic information
- CAS
119-23-3- Standard SMILES
CCOc1ccc(OCC)c([N+](=O)[O-])c1- InChIKey
AUCRWWWSFGZHBK-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- Benzene, 1,4-diethoxy-2-nitro-
- IUPAC
- 1,4-diethoxy-2-nitrobenzene
- English name
- 1,4-Diethoxy-2-nitrobenzene
- Molecular formula
- C10H13NO4
- Molecular weight
- 211.21
Names & synonyms
1,4-Diethoxy-2-nitrobenzene119-23-3Benzene, 1,4-diethoxy-2-nitro-EINECS 204-308-8NSC 81234DTXSID7059484RefChem:562329DTXCID0033461204-308-82,5-Diethoxynitrobenzene9SQ89QGV7GNSC-81234
Show more names
1,4-Diethoxy-2-nitrobenzol1,4-diethoxy-2-nitro-benzen2-Nitro-1,4-diethoxybenzene2,5-DIETHOXYNITROBENZENE 98%HYDROQUINONE NITRODIETHYL ETHER
2,5-Diethoxy-1-nitrobenzeneNitrohydroquinone diethyl etherNSC812341-NITRO-2,5-DIETHOXYBENZENEUNII-9SQ89QGV7G2-Nitro-1,4-diethoxybenzolBenzene,4-diethoxy-2-nitro-1,4-diethoxy-2-nitro-benzene
Database identifiers
- CAS
119-23-3- PubChem CID
- 67064
- DTXSID
DTXSID7059484- UNII
- 9SQ89QGV7G
- EC Number
- 204-308-8
- Nikkaji
- J150.335I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 48 · 48-51 °C(lit.)
- Boiling point
- 169 °C13 · 169 °C13 mm Hg(lit.)
- Density
- 1.2022 · 1.2022 (estimate)
- refractive index
- 1.531 · 1.5310 (estimate)
- Flash point
- 230 °F · >230 °F
- form
- solid
- InChI
- 1S/C10H13NO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7H,3-4H2,1-2H3
- InChIKey
- AUCRWWWSFGZHBK-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(OCC)c(c1)[N+]([O-])=O
- CAS DataBase Reference
- 119 · 119-23-3(CAS DataBase Reference)
- FDA UNII
- 9 SQ89QGV7G · 9SQ89QGV7G
- EPA Substance Registry System
- 1 · Benzene, 1,4-diethoxy-2-nitro- (119-23-3)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
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 (97.4%): 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
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-diethoxy-2-nitro-: INACTIVE
Applications
UsesReduction of 1,4- diethoxy-2-nitrobenzene, yields 2,5-diethoxyaniline [94-85-9], which is used as an azo coupling component or as the intermediate for Fast Blue BB Base by consecutive benzoylation, nitration, and reduction.
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
杭州洁汉化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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