Basic information
- CAS
89659-66-5- Standard SMILES
CC(C)Nc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
FVLRQKBPFQZCCT-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.0509053
Names & identifiers
- Preferred name
- N1-isopropyl-4-chloro-2-nitroaniline
- IUPAC
- 4-chloro-2-nitro-N-propan-2-ylaniline
- English name
- N1-Isopropyl-4-chloro-2-nitroaniline
- Molecular formula
- C9H11ClN2O2
- Molecular weight
- 214.65
Names & synonyms
89659-66-5N1-isopropyl-4-chloro-2-nitroaniline4-chloro-N-isopropyl-2-nitroaniline4-chloro-2-nitro-N-propan-2-ylanilineMFCD00084958N-Isopropyl 4-chloro-2-nitroanilineMaybridge1_008442MLS000859569SCHEMBL7369772CHEMBL1726128HMS565H16DTXSID30371533
Show more names
BUTTPARK 45\09-82Benzenamine, 4-chloro-N-(1-methylethyl)-2-nitro-
FVLRQKBPFQZCCT-UHFFFAOYSA-NN-Isopropyl-4-chloro-2-nitroanilineSBB0950304-chloro-N-isopropyl-2-nitro-anilineAKOS005209120CCG-256241SMR0004613464-chloro-2-nitro-N-(propan-2-yl)aniline
Database identifiers
- CAS
89659-66-5- PubChem CID
- 2736692
- DTXSID
DTXSID30371533- ChEMBL
CHEMBL1726128
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 333.5 · 333.5±27.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- -1.56 · -1.56±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
8 records
Compound notes
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