2-(6-Bromo-2-methoxynaphthalen-1-yl)acetonitrile
Basic information
- CAS
92643-17-9- Standard SMILES
COc1ccc2cc(Br)ccc2c1CC#N- InChIKey
GZBQPAVETVFEEX-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO
- Average molar mass
- 276.13 g/mol
- Monoisotopic mass
- 274.99458
Names & identifiers
- Preferred name
- 2-(6-Bromo-2-methoxynaphthalen-1-yl)acetonitrile
- IUPAC
- 2-(6-bromo-2-methoxynaphthalen-1-yl)acetonitrile
- English name
- 2-(6-Bromo-2-methoxy-1-naphthyl)acetonitrile
- Molecular formula
- C13H10BrNO
- Molecular weight
- 276.13
Names & synonyms
92643-17-92-(6-bromo-2-methoxynaphthalen-1-yl)acetonitrile(6-bromo-2-methoxy-1-naphthyl)acetonitrile2-(6-Bromo-2-Methoxy-1-Naphthyl)AcetonitrileMFCD02180673(6-bromo-2-methoxynaphthalen-1-yl)acetonitrile2-(6-bromo-2-methoxynaphthyl)ethanenitrileIFLab1_004149DTXSID00351887HMS1423M13CCG-48300SBB037992
Show more names
AKOS BBS-00000037IFLAB-BB F0848-02396-Bromo-1-(cyanomethyl)-2-methoxynaphthalene1-Naphthaleneacetonitrile, 6-bromo-2-methoxy-(6-Bromo-2-methoxynaphth-1-yl)acetonitrile97%(6-Bromo-2-methoxynaphth-1-yl)acetonitrile 97%
STL336657AKOS000267932TS-00943DB-018029(6-Bromo-2-methoxynaphth-1-yl)acetonitrileCS-0313795ST50036719F720869
Database identifiers
- CAS
92643-17-9- PubChem CID
- 712452
- DTXSID
DTXSID00351887- EC Number
- 678-775-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- CAS DataBase Reference
- 92643 · 92643-17-9(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- RIDADR
- 3439 · UN3439
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2926907090 · 2926907090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- UN3439
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…