Name: BENZO[A]PYRENE-D12
SKU: 63466-71-7

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Basic Information

Molecular Structure:
CAS No.:	63466-71-7
Name:	BENZO[A]PYRENE-D12

Formula:	C₂₀D₁₂
Molecular Weight:	264.22
Synonyms:	Benzo[a]pyrene-d12;
Density:	1.348 g/cm³
Melting Point:	177-180 °C
Boiling Point:	495 °C at 760 mmHg
Flash Point:	228.6 °C
Hazard Symbols:	T, N
Risk Codes:	45-46-60-61-43-50/53
Safety:	53-45-60-61
PSA:	0.00000
LogP:	5.73720

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Specification

The Benzo[a]pyrene-1,2,3,4,5,6,7,8,9,10,11,12-d12, with the CAS registry number 63466-71-7, is also known as Benzo[a]pyrene-d12. This chemical's molecular formula is C₂₀D₁₂ and molecular weight is 264.3832. What's more, its systematic name is called 1,2,3,4,5,6,7,8,9,10,11,12-Dodecadeuteriobenzo[b]pyrene.

Physical properties about Benzo[a]pyrene-1,2,3,4,5,6,7,8,9,10,11,12-d12 are: (1)ACD/LogP: 6.40; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å²; (9)Index of Refraction: 1.887; (10)Molar Refractivity: 90.3 cm³; (11)Molar Volume: 196 cm³; (12)Polarizability: 35.8×10^-24 cm³; (13)Surface Tension: 63.4 dyne/cm; (14)Density: 1.348 g/cm³; (15)Flash Point: 228.6 °C; (16)Enthalpy of Vaporization: 73.35 kJ/mol; (17)Boiling Point: 495 °C at 760 mmHg; (18)Vapour Pressure: 1.87E-09 mmHg at 25 °C; (19)Melting Point: 177-180 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to skin. It may cause sensitisation by skin contact. What's more, it may cause heritable genetic damage and cancer. It is harmful to the unborn child and may impair fertility. This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Therefore, this material and its container must be disposed of as hazardous waste. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). It should be avoided releasing to the environment and exposure.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c5c4c3c(c([2H])c([2H])c2c1c([2H])c([2H])c([2H])c([2H])c1c([2H])c(c23)c([2H])c4[2H])c([2H])c5[2H]
(2) InChI: InChI=1/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
(3) InChIKey: FMMWHPNWAFZXNH-AQZSQYOVEU