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CAS 1146-65-2 Naphthalene-d8 molecular structure lightbox
CAS RN: 1146-65-2

Naphthalene-d8

  • Product code: SSC-014309
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1146-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1146-65-2 / 1,2,3,4,5,6,7,8-octadeuterionaphthalene

Naphthalene-d8 | (2H8)Naphthalene | Perdeuterated naphthalene

Standard CAS: 1146-65-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1146-65-2
Multi CAS
Yes
Molecular Formula
C10H8
Molecular Weight
136.220000
Exact Mass
136.112814
SMILES
[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
UFWIBTONFRDIAS-PGRXLJNUSA-N
Synonyms
Naphthalene-d8 (2H8)Naphthalene Perdeuterated naphthalene EINECS 214-552-7 [2H8]Naphthalene

Physical Properties

Physical Description
Hydroscopic solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
Molar refractivity
43.95
TPSA
0.0000

LogP / Solubility

WLOGP
2.84
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.88
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H228 (72.7%): Flammable solid [Danger Flammable solids] H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral] H351 (27.3%): Suspected of causing cancer [Warning Carcinogenicity] H400 (27.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (27.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P210, P240, P241, P264, P270, P273, P280, P301+P317, P318, P330, P370+P378, P391, P405, and P501

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