CAS 227-09-8 Dibenzo[a,l]pentacene - Materials / Alfa Chemistry

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Dibenzo[a,l]pentacene

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Catalog Number

ACM227098

Product Name

Dibenzo[a,l]pentacene

Structure

CAS

227-09-8

Category

Carbon Nanomaterials

Synonyms

1,2:8,9-Dibenzopentacene
DBP
trans-DBPen

IUPAC Name

heptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene

Molecular Weight

378.47

Molecular Formula

C30H18

Canonical SMILES

C1=CC=C2C(=C1)C=CC3=CC4=CC5=C(C=C6C=CC7=CC=CC=C7C6=C5)C=C4C=C32

InChI

InChI=1S/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H

InChI Key

XSTMLGGLUNLJRY-UHFFFAOYSA-N

Melting Point

200 °C

Purity

>97.0%(HPLC)

Appearance

Red to Dark red to Brown powder to crystal

Storage

Store under inert gas

Complexity

568

Covalently-Bonded Unit Count

EC Number

205-933-9

Exact Mass

378.140851g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00039580

Monoisotopic Mass

378.140851g/mol

NSC Number

90327

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

MSDS

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COA

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Spec Sheet

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