Related Searches: 1-fluoronaphthalene, fluoronaphthalene, 1-phenyl-1-propanol, 1-propyn-1-oL, Urea, hydrochloride(1:1), View all

1-fluoronaphthalene(CAS No. 321-38-0)

1-fluoronaphthalene C10H7F (cas 321-38-0) Molecular Structure

321-38-0 Structure

Identification and Related Records

【Name】
1-fluoronaphthalene
【Iupac name】
1-fluoronaphthalene
【CAS Registry number】
321-38-0
【Synonyms】
1-FLUORO NAPHTHALENE
Fluoronaphthalene
【EINECS(EC#)】
206-287-0
【Molecular Formula】
C10H7F (Products with the same molecular formula)
【Molecular Weight】
146.16
【Inchi】
InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
【InChIKey】
CWLKTJOTWITYSI-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC=C2F
【MOL File】
321-38-0.mol

Chemical and Physical Properties

【Appearance】
Needles.
【Density】
1.332
【Melting Point】
-13℃
【Boiling Point】
215-217℃
【Refractive Index】
1.592-1.594
【Flash Point】
65℃
【Water】
Stability Stable. Incompatible with strong oxidizing agents. Toxicology Irritant. Toxicity data (The meaning of any toxicological abbreviations which appear in
【Solubilities】

【Stability】
Stable. Incompatible with strong oxidizing agents.
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:146.160983 [g/mol]
Molecular Formula:C10H7F
XLogP3:3.7
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:146.053178
MonoIsotopic Mass:146.053178
Topological Polar Surface Area:0
Heavy Atom Count:11
Formal Charge:0
Complexity:133
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【HazardClass】
IRRITANT
【Hazard Note】

Flammable

【Transport】
UN 2810
【Specification】

The 1-Fluoronaphthalene, with its CAS registry number 321-38-0, has the systematic name of Naphthalene, 1-fluoro-. And it is usually used as?the organic reagent and pharmaceutical intermediate.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.48; (6)ACD/BCF (pH 7.4): 269.48; (7)ACD/KOC (pH 5.5): 1911.52; (8)ACD/KOC (pH 7.4): 1911.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 17.47×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.221 mmHg at 25°C; (23)Exact Mass: 146.053178; (24)MonoIsotopic Mass: 146.053178; (25)Heavy Atom Count: 11; (26)Complexity: 133.

Production method of this chemical: 1-[1]naphthyl-ethanol could react to produce 1-Fluoronaphthalene. This reaction could happen in the presence of the reagent of CsSO4F and the solvent of acetonitrile.

Use of this chemical: 1-Fluoronaphthalene could react to produce 3-fluoro-1,2-benzenedicarboxylic acid. This reaction could happen in the presence of the reagent of KMnO4 with its yield of 47%.?


?
When you are dealing with this kind of chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. And it may cause sensitization by skin contact and have possible risk of harm to the unborn child. For another thing, it is toxic which may at low levels cause damage to health. And it may cause cancer and will be toxic if by inhalation, in contact with skin and if swallowed. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source. And it has a very low flash point or evolve highly flammable gases in contact with water.?

There, you should take different measures to deal with different cases. The first important thing is to wear suitable protective clothing, and then try to avoid contacting with skin and eyes and avoid exposure - obtain special instruction before use. Besides, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2F
(2)InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(3)InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 380mg/kg (380mg/kg) ? Journal of Laboratory and Clinical Medicine. Vol. 22, Pg. 1133, 1937.

【Report】

The 1-Fluoronaphthalene, with its CAS registry number 321-38-0, has the systematic name of Naphthalene, 1-fluoro-. And it is usually used as?the organic reagent and pharmaceutical intermediate.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.48; (6)ACD/BCF (pH 7.4): 269.48; (7)ACD/KOC (pH 5.5): 1911.52; (8)ACD/KOC (pH 7.4): 1911.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 17.47×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.221 mmHg at 25°C; (23)Exact Mass: 146.053178; (24)MonoIsotopic Mass: 146.053178; (25)Heavy Atom Count: 11; (26)Complexity: 133.

Production method of this chemical: 1-[1]naphthyl-ethanol could react to produce 1-Fluoronaphthalene. This reaction could happen in the presence of the reagent of CsSO4F and the solvent of acetonitrile.

Use of this chemical: 1-Fluoronaphthalene could react to produce 3-fluoro-1,2-benzenedicarboxylic acid. This reaction could happen in the presence of the reagent of KMnO4 with its yield of 47%.?


?
When you are dealing with this kind of chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. And it may cause sensitization by skin contact and have possible risk of harm to the unborn child. For another thing, it is toxic which may at low levels cause damage to health. And it may cause cancer and will be toxic if by inhalation, in contact with skin and if swallowed. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source. And it has a very low flash point or evolve highly flammable gases in contact with water.?

There, you should take different measures to deal with different cases. The first important thing is to wear suitable protective clothing, and then try to avoid contacting with skin and eyes and avoid exposure - obtain special instruction before use. Besides, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2F
(2)InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(3)InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 380mg/kg (380mg/kg) ? Journal of Laboratory and Clinical Medicine. Vol. 22, Pg. 1133, 1937.

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Shanghai Do Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-33758180
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Shanghai Bojing chem co.,ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-37122233
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Jinan Jianfeng Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-531-88110457
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Ningbo Inno Pharmchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-574-87319282

Quick Search

Cas    Name

Related products

1-(chloromethyl)-4-fluoronaphthalene

1-(Chlormethyl)-4-fluornaphthalen;naphthalene, 1-(chloromethyl)-4-fluoro-

7-Fluoronaphthalene-1-carboxaldehyde

7-Fluoronaphthalene-1-carboxaldehyde;7-Fluoro-1-naphthalenecarboxaldehyde

1-diethoxyphosphoryl-4-fluoronaphthalene

;Phosphonic acid,(4-fluoro-1-naphthalenyl)-,diethyl ester

6-fluoronaphthalene-1-carboxylic acid

6-fluoronaphthalene-1-carboxylic acid

7-fluoronaphthalene-1-carboxylic acid

7-fluoronaphthalene-1-carboxylic acid;NSC74920;AC1L5MMP;AC1Q5TJX;NCIOpen2_000697;AR-1H3474;NSC-74920;AKOS006309283

2-benzoyl-7-fluoronaphthalene-1-carboxylic acid

NSC408211;AC1L8A46;NSC-408211;2-benzoyl-7-fluoronaphthalene-1-carboxylic acid;3799-81-3

2-chloro-6-fluoronaphthalene

2-chloro-6-fluoronaphthalene

6-fluoronaphthalene-2-carbaldehyde

;6-Fluoro-naphthalene-2-carboxaldehyde;6-fluoro-2-naphthaldehyde;6-fluoro-2-naphthoaldehyde

phenyl 6-fluoronaphthalene-2-carboxylate

;2-Naphthalenecarboxylic acid,6-fluoro-,phenyl ester

AS 1

methane;Marsh gas;Carbon;Methyl hydride;Fire Damp;Activated charcoal;Graphite;Aquadag;Biogas;Activated carbon;methylidyne;Acticarbone;Electrographite;...

OF-1

OF-1;4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methylbenzenesulfonamide