9-Bromomethylanthracene
Basic information
- CAS
2417-77-8- Standard SMILES
BrCc1c2ccccc2cc2ccccc12- InChIKey
KOWKPLCVFRHICH-UHFFFAOYSA-N- Molecular formula
- C15H11Br
- Average molar mass
- 271.15 g/mol
- Monoisotopic mass
- 270.00441
Names & identifiers
- Preferred name
- 9-Bromomethylanthracene
- IUPAC
- 9-(bromomethyl)anthracene
- English name
- 9-(bromomethyl)anthracene
- Molecular formula
- C15H11Br
- Molecular weight
- 271.15
Names & synonyms
9-(Bromomethyl)anthracene2417-77-89-BromomethylanthraceneICR 506ANTHRACENE, 9-BROMOMETHYL-CCRIS 822BRN 20492989JN2QR4LWJBROMOMETHYLANTHRACENE, 9-DTXSID70178881RefChem:549282DTXCID30101372
Show more names
ICR-5069-Anthrylmethyl bromide
803-482-8C15H11BrAnthracene, 9-(bromomethyl)-MFCD00096212SCHEMBL118514STK368189AKOS005445194SB66830
Database identifiers
- CAS
2417-77-8- PubChem CID
- 17019
- DTXSID
DTXSID70178881- UNII
- 9JN2QR4LWJ
- EC Number
- 803-482-8
- Nikkaji
- J2.153I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 143 · 143-146℃
- Boiling point
- 320.83 °C · 320.83°C (rough estimate)
- Density
- 1.448 · 1.448
- refractive index
- 1.6822 · 1.6822 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder
- color
- Yellow
- InChI
- InChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
- InChIKey
- KOWKPLCVFRHICH-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C3C(=C2CBr)C=CC=C3)=CC=C1
- FDA UNII
- 9 JN2QR4LWJ · 9JN2QR4LWJ
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
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 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
Safety data
- ridadr
- UN3261
- hs_code
- 2903998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_class
- 8
- Hazard statements
- H302-H318-H400-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P310-P273-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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