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4-Methylchrysene

4-Methylchrysene structure

CAS No:
3351-30-2
Formula:
C19H14
Chemical Name:
4-Methylchrysene
Synonyms:
Chrysene,4-methyl-;4-Methylchrysene
Categories:
Analytical Chemistry > Standard

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Description

4-Methylchrysene is a carbopolycyclic compound.

4-Methylchrysene Basic Attributes

Molecular Weight：

242.31

Exact Mass：

242.31

UNII：

TWU6H5YT57

DSSTox ID：

DTXSID8074817

HScode：

2902909090

Characteristics

PSA：

XLogP3：

6.37

Density：

1.2±0.1 g/cm3

Melting Point：

151-151.5 °C

Boiling Point：

449.4±12.0 °C at 760 mmHg

Flash Point：

217.8±13.7 °C

Refractive Index：

1.748

Storage Conditions：

2-8°C

Safety Information

Precautionary statement(s)：

P260, P264, P270, P309+P311, P405, P501

Hazard Statements：

H371

GHS Classification：

|Warning|H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]|P260, P264, P270, P309+P311, P405, and P501|Aggregated GHS information provided by 15 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-methylchrysene

4-Methylchrysene Use and Manufacturing

4-Methylchrysene is one of the methylated chrysenes (MeChry), as an aryl hydrocarbon receptor (AhR) agonist. Methylated chrysenes (MeChry) are important cigarette smoke constituents and 5-MeChry has been listed as possibly carcinogenic to humans. 4-Methylchrysene is a possible carcinogenic agent.

Computed Properties

Molecular Weight:242.3
XLogP3:6
Exact Mass:242.109550447
Monoisotopic Mass:242.109550447
Heavy Atom Count:19
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes