6-Sulfooxymethylbenzo(a)pyrene supplier

Name
6-sulfooxymethylbenzo(a)pyrene
EINECS
CAS No. 71839-05-9
Density 1.527g/cm³
Solubility
Melting Point
Formula C21H14 O4 S
Boiling Point
Molecular Weight 362.41
Flash Point
Transport Information
Appearance
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of SO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Sulfooxymethylbenzo[a]pyrene
PSA 71.98000
LogP 6.13740

6-Sulfooxymethylbenzo(a)pyrene Chemical Properties

IUPAC Name: Benzo[a]pyren-6-ylmethyl hydrogen sulfate
Synonyms of 6-Sulfooxymethylbenzo(a)pyrene (CAS NO.71839-05-9): Benzo(a)pyrene-6-methanol, hydrogen sulfate
CAS NO: 71839-05-9
Molecular Formula: C₂₁H₁₄O₄S
Molecular Weight: 362.3985
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 60.98 Å²
Index of Refraction: 1.849
Molar Refractivity: 105.95 cm³
Molar Volume: 237.3 cm³
Surface Tension: 80 dyne/cm
Density: 1.527 g/cm³
InChI: InChI=1/C21H14O4S/c22-26(23,24)25-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2,(H,22,23,24)
InChIKey: WPJPSIKNQCJUCP-UHFFFAOYAD
Std. InChI: InChI=1S/C21H14O4S/c22-26(23,24)25-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2,(H,22,23,24)
Std. InChIKey: WPJPSIKNQCJUCP-UHFFFAOYSA-N

6-Sulfooxymethylbenzo(a)pyrene Toxicity Data With Reference

1.	mic-sat 1 µmol/L	CRNGDP Carcinogenesis. 15 (1994),917.
2.	msc-ham-lng 250 nmol/L	MUREAV Mutation Research. 397 (1998),263.
3.	add-unr-lym 3 µmol/L	CRNGDP Carcinogenesis. 15 (1994),917.

6-Sulfooxymethylbenzo(a)pyrene Safety Profile

Mutation data reported. When 6-Sulfooxymethylbenzo(a)pyrene (CAS NO.71839-05-9) is heated to decomposition, it emits toxic vapors of SO_x.

Product Name

6-sulfooxymethylbenzo(a)pyrene

6-Sulfooxymethylbenzo(a)pyrene Chemical Properties

6-Sulfooxymethylbenzo(a)pyrene Toxicity Data With Reference

6-Sulfooxymethylbenzo(a)pyrene Safety Profile

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