1,5-Bis(chloromethyl)naphthalene
Basic information
- CAS
1733-76-2- Standard SMILES
ClCc1cccc2c(CCl)cccc12- InChIKey
HJTAZXHBEBIQQX-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2
- Average molar mass
- 225.11 g/mol
- Monoisotopic mass
- 224.0159557
Names & identifiers
- Preferred name
- 1,5-Bis(chloromethyl)naphthalene
- IUPAC
- 1,5-bis(chloromethyl)naphthalene
- English name
- 1,5-bis(chloromethyl)naphthalene
- Molecular formula
- C12H10Cl2
- Molecular weight
- 225.11
Names & synonyms
1,5-Bis(chloromethyl)naphthalene1733-76-26PM4HK5WJ6EINECS 217-070-5NSC-83233DTXSID90169579NSC 83233RefChem:73436DTXCID1092070217-070-5Naphthalene, 1,5-bis(chloromethyl)-NSC83233
Show more names
Butenafine Impurity 10
Enamine_005031UNII-6PM4HK5WJ6SCHEMBL246821915-Bis(chloromethyl)naphthalene1,5-di(chloromethyl)naphthaleneSCHEMBL29383544Naphthalene,5-bis(chloromethyl)-HJTAZXHBEBIQQX-UHFFFAOYSA-N
Database identifiers
- CAS
1733-76-2- PubChem CID
- 74424
- DTXSID
DTXSID90169579- UNII
- 6PM4HK5WJ6
- EC Number
- 217-070-5
- Nikkaji
- J203.134E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 144 °C · 144 °C(Solv: benzene (71-43-2))
- Boiling point
- 175 · 175-185 °C
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- FDA UNII
- 6 PM4HK5WJ6 · 6PM4HK5WJ6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,5-Bis(chloromethyl)naphthalene is a reactant in the synthesis of 1,4-bis[-E-4-(N,N-diphenylamino)styryl]naphthalene (Np-G1) and 2,8-bis[-E-4-(N,N-diphenylamino) styryl]dibenzothiophene (ST-G1) which are used in organic light emitting devices (OLED).
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Compound notes
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