9-Bromomethylanthracene

HCID 17019CAS 2417-77-8

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Basic information

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-BromomethylanthraceneANTHRACENE, 9-BROMOMETHYL-ICR 506CCRIS 8229JN2QR4LWJBRN 2049298BROMOMETHYLANTHRACENE, 9-DTXSID70178881RefChem:549282DTXCID30101372

Show more names

ICR-5069-Anthrylmethyl bromide

803-482-8C15H11BrMFCD00096212Anthracene, 9-(bromomethyl)-9-bromomethyl-anthraceneUNII-9JN2QR4LWJSCHEMBL118514SCHEMBL29516177

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 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 216

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
Signal word: Danger
Hazard statements: 302 · H302-H318-H400-H410
Precautionary statements: 310 · P310-P273-P280
RIDADR: 3261 · UN3261
HazardClass: 8 · 8
HS Code: 2903998090 · 2903998090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

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