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Basic information
- CAS
5447-28-9- Standard SMILES
Clc1cccc(Nc2ccc3ccccc3c2)c1- InChIKey
XEYHIIBYEOWKLL-UHFFFAOYSA-N- Molecular formula
- C16H12ClN
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.0658271
Names & identifiers
- Preferred name
- 2-Naphthalenamine, N-(3-chlorophenyl)-
- IUPAC
- N-(3-chlorophenyl)naphthalen-2-amine
- English name
- N-(3-chlorophenyl)naphthalen-2-amine
- Molecular formula
- C16H12ClN
- Molecular weight
- 253.72618
Names & synonyms
N-(3-Chlorophenyl)naphthalen-2-amine2-Naphthalenamine, N-(3-chlorophenyl)-2-Naphthylamine, N-(m-chlorophenyl)-EINECS 226-664-3NSC 16897N-(3-Chlorophenyl)-2-naphthalenamineDTXSID2063894RefChem:476373DTXCID00417272-Naphthylamine, N-(m-chlorophenyl)-(8CI)226-664-35447-28-9
Show more names
N-(3-Chlorophenyl)-2-naphthylamineCHEMBL395633NSC16897SCHEMBL11137506XEYHIIBYEOWKLL-UHFFFAOYSA-NBDBM50024762NSC-16897AKOS022842489
Database identifiers
- CAS
5447-28-9- PubChem CID
- 79528
- DTXSID
DTXSID2063894- ChEMBL
CHEMBL395633- EC Number
- 226-664-3
- Nikkaji
- J40.477B
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 413.5 · 413.5±28.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- -0.02 · -0.02±0.30(Predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenamine, N-(3-chlorophenyl)- (5447-28-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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