Basic information
- CAS
76590-23-3- Standard SMILES
Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1- InChIKey
MKXTZTZSPXTCFM-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO
- Average molar mass
- 304.2 g/mol
- Monoisotopic mass
- 303.0217694
Names & identifiers
- Preferred name
- 3-Chloro-4-[(4-chloro-1-naphthyl)oxy]aniline
- IUPAC
- 3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline
- English name
- 3-CHLORO-4-[(4-CHLORO-1-NAPHTHYL)OXY]ANILINE
- Molecular formula
- C16H11Cl2NO
- Molecular weight
- 304.17
Names & synonyms
76590-23-33-CHLORO-4-[(4-CHLORO-1-NAPHTHYL)OXY]ANILINE3-chloro-4-(4-chloronaphthalen-1-yl)oxyaniline3-Chloro-4-((4-chloronaphthalen-1-yl)oxy)anilineBenzenamine, 3-chloro-4-[(4-chloro-1-naphthalenyl)oxy]-3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]anilineOprea1_264042SCHEMBL10963610DTXSID70353712AKOS009990098SR-01000390862SR-01000390862-1
Show more names
3-Chloro-4-[(4-chloro-1-naphthalenyl)oxy]benzenamine
Database identifiers
- CAS
76590-23-3- PubChem CID
- 749415
- DTXSID
DTXSID70353712
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 110 · 110-112 °C
- Boiling point
- 457.7 · 457.7±40.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.30(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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