Basic information
- CAS
89-30-5- Standard SMILES
CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1Cl- InChIKey
BFTZBYNTVYQUNQ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO4
- Average molar mass
- 301.76 g/mol
- Monoisotopic mass
- 301.1080858
Names & identifiers
- Preferred name
- 1,4-Dibutoxy-2-chloro-5-nitrobenzene
- IUPAC
- 1,4-dibutoxy-2-chloro-5-nitrobenzene
- English name
- 1,4-DIBUTOXY-2-CHLORO-5-NITROBENZENE
- Molecular formula
- C14H20ClNO4
- Molecular weight
- 301.77
Names & synonyms
1,4-Dibutoxy-2-chloro-5-nitrobenzeneBenzene, 1,4-dibutoxy-2-chloro-5-nitro-H2TZ7MQW5VEINECS 201-896-8DTXSID50589851-CHLORO-2,5-DIBUTOXY-4-NITROBENZENERefChem:73217DTXCID3048653201-896-889-30-5UNII-H2TZ7MQW5VSCHEMBL8944400
Show more names
2,5-Dibutoxy-4-chloro-1-nitrobenzene1,4-dibutoxy-2-chloro-5-nitro-benzen1-CHLORO-4-NITRO-2,5-DIBUTOXYBENZENEBenzene,1,4-dibutoxy-2-chloro-5-nitro-
2,5-dibutoxy-4-chloronitrobenzeneAKOS024325161NS00039321
Database identifiers
- CAS
89-30-5- PubChem CID
- 66635
- DTXSID
DTXSID5058985- UNII
- H2TZ7MQW5V
- EC Number
- 201-896-8
- Nikkaji
- J60.217E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 418 · 418.0±40.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- FDA UNII
- 2 TZ7MQW5V · H2TZ7MQW5V
- EPA Substance Registry System
- 1 · Benzene, 1,4-dibutoxy-2-chloro-5-nitro- (89-30-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-dibutoxy-2-chloro-5-nitro-: INACTIVE
Suppliers4 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
3 records
Compound notes
Loading…