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CAS No.: | 24463-19-2 |
---|---|
Name: | 9-(Chloromethyl)anthracene |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C15H11Cl |
Molecular Weight: | 226.705 |
Synonyms: | 9-(Chloromethyl)anthracene;9-Anthracenylmethyl chloride;NSC 241165;9-Chloromethylanthracene;9-(Chloromethyl)Anthracene;Anthracene, 9- (chloromethyl)-; |
EINECS: | 246-274-7 |
Density: | 1.223 g/cm3 |
Melting Point: | 138-140 °C(lit.) |
Boiling Point: | 402 °C at 760 mmHg |
Flash Point: | 185 °C |
Solubility: | Soluble in chloroform. Insoluble in water. |
Appearance: | yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 3261 8/PG 2 |
PSA: | 0.00000 |
LogP: | 4.73180 |
anthracen-9-ylmethylene-hydrazine
anthracenylmethyl chloride
Conditions | Yield |
---|---|
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -78 - 20℃; | 98% |
9-hydroxymethylanthracene
anthracenylmethyl chloride
Conditions | Yield |
---|---|
With thionyl chloride In 1,4-dioxane for 5h; Heating; | 95% |
With thionyl chloride In dichloromethane for 2h; Substitution; Heating; | 87.9% |
With thionyl chloride In tetrahydrofuran for 5h; Reflux; Inert atmosphere; | 85% |
9-methylanthracene
A
anthracenylmethyl chloride
B
9-chloro-10-methylanthracene
Conditions | Yield |
---|---|
With hydrogenchloride In tetrachloromethane for 1h; Chlorination; Heating; | A 9% B 32% |
9-(phenoxymethyl)anthracene
anthracenylmethyl chloride
Conditions | Yield |
---|---|
With dichloromethane Substitution; laser-jet photolysis; | 100 % Spectr. |
9-anthracene aldehyde
anthracenylmethyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Magnesium / 1.) Ether, 2.) THF, 40 deg C, 30 min 2: Thionyl chloride / benzene / 3 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: Sodium borohydride / methanol; H2O / 1.) 50 deg C, 2.) RT, 1.5 h 2: Thionyl chloride / benzene / 3 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: LiAlH4; diethyl ether 2: benzene; PCl5 View Scheme | |
Stage #1: 9-anthracene aldehyde With methanol; sodium tetrahydroborate at 0℃; Stage #2: With thionyl chloride In dichloromethane at 0℃; | |
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; ethanol / 2 h / 40 °C 2: thionyl chloride / tetrahydrofuran / 5 h / Reflux; Inert atmosphere View Scheme |
9-anthracene aldehyde
A
anthracenylmethyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NaBH4 2: HCl View Scheme | |
Multi-step reaction with 2 steps 1: aq. NaBH4 2: SOCl2 View Scheme |
anthracene
anthracenylmethyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: trichlorophosphate / 80 °C 2.1: sodium tetrahydroborate; methanol / 0 °C 2.2: 0 °C View Scheme | |
Multi-step reaction with 3 steps 1: trichlorophosphate / chlorobenzene / 2 h / Schlenk technique; Inert atmosphere; Reflux 2: sodium tetrahydroborate; ethanol / 2 h / 40 °C 3: thionyl chloride / tetrahydrofuran / 5 h / Reflux; Inert atmosphere View Scheme |
1-methyl-1H-imidazole
anthracenylmethyl chloride
1-[(9-anthracenyl)methyl]-3-methylimidazolium chloride
Conditions | Yield |
---|---|
In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; | 100% |
In acetonitrile for 48h; Inert atmosphere; Darkness; Reflux; | 92% |
Conditions | Yield |
---|---|
In acetonitrile for 2h; Heating; | 99% |
In acetonitrile for 2h; Heating / reflux; | 98% |
In dimethyl sulfoxide |
anthracenylmethyl chloride
2,8-dithia-5-aza-2,6-pyridinophane
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane for 24h; Heating; | 99% |
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The Anthracene,9-(chloromethyl)-, with the CAS registry number 24463-19-2 and EINECS registry number 246-274-7, has the systematic name of 9-(chloromethyl)anthracene. It is a kind of yellow powder, and should be stored in a sealed container to protect from strong oxidant and alkali. And the molecular formula of this chemical is C15H11Cl.
The physical properties of Anthracene,9-(chloromethyl)- are as following: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 3393.94; (6)ACD/BCF (pH 7.4): 3393.94; (7)ACD/KOC (pH 5.5): 11718.5; (8)ACD/KOC (pH 7.4): 11718.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 71.7 cm3; (15)Molar Volume: 185.3 cm3; (16)Polarizability: 28.42×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 185 °C; (20)Enthalpy of Vaporization: 62.77 kJ/mol; (21)Boiling Point: 402 °C at 760 mmHg; (22)Vapour Pressure: 2.63E-06 mmHg at 25°C.
Uses of Anthracene,9-(chloromethyl)-: It can react with pyridine to produce N-(9-anthracenylmethyl)pyridinium chloride. And the yield is about 90%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2c3c(cc1c2cccc1)cccc3
(2)InChI: InChI=1/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
(3)InChIKey: PCVRSXXPGXRVEZ-UHFFFAOYAH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intravenous | 2267ug/kg (2.267mg/kg) | Cancer Research. Vol. 36, Pg. 2423, 1976. |