Products Categories
CAS No.: | 120-32-1 |
---|---|
Name: | Clorofene |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C13H11ClO |
Molecular Weight: | 218.683 |
Synonyms: | o-Cresol,4-chloro-a-phenyl- (6CI,7CI,8CI);2-Benzyl-4-chlorophenol;2-Hydroxy-5-chlorodiphenylmethane;4-Chloro-2-benzylphenol;4-Chloro-a-phenyl-o-cresol;5-Chloro-2-hydroxydiphenylmethane;Bio-Clave;Chlorophene;Clorofene;Clorophene;Ketolin H;NSC 59989;Neosabenyl;NipacideBCP;Nipacide BCP 50;Preventol BP;Santophen;Santophen 1;Septiphene;o-Benzyl-p-chlorophenol;p-Chloro-o-benzylphenol; |
EINECS: | 204-385-8 |
Density: | 1.22 g/cm3 |
Melting Point: | 46-49 °C(lit.) |
Boiling Point: | 339.6 °C at 760 mmHg |
Flash Point: | 159.2 °C |
Solubility: | <0.1 g/100 mL at 16 °C in water |
Appearance: | white to light tan or pink flakes or white crystals |
Hazard Symbols: | Xn, N |
Risk Codes: | 22-37/38-41-50/53-51/53-36/37/38 |
Safety: | 26-39-60-61-37/39 |
Transport Information: | UN 3077 9/PG 3 |
PSA: | 20.23000 |
LogP: | 3.63640 |
Conditions | Yield |
---|---|
With sulfated zirconia at 140℃; for 1.5h; | 88% |
With aluminium trichloride; Petroleum ether at 20 - 35℃; |
4-chloro-phenol
benzyl N-phenyl-sulfamoylcarbamate
A
chlorophene
B
4-chlorophenyl benzyl ether
Conditions | Yield |
---|---|
at 120℃; for 5h; Friedel-Crafts alkylation; | A 19% B 25% |
benzyl bromide
4-chloro-phenol
A
chlorophene
B
2,6-dibenzyl-4-chlorophenol
Conditions | Yield |
---|---|
With zinc(II) chloride at 60℃; for 2h; Friedel-Crafts Alkylation; Inert atmosphere; | A 0.6% B 1.2% |
o-Benzylphenol
chlorophene
Conditions | Yield |
---|---|
With sulfuryl dichloride anschliessendes Erwaermen auf 100grad; |
4-chlorophenyl benzyl ether
A
chlorophene
B
2,7-dichloro-9-phenyl-xanthene
C
4-chloro-phenol
D
toluene
Conditions | Yield |
---|---|
at 260℃; |
benzyl chloride
sodium 4-chlorophenolate
A
chlorophene
B
4-chlorophenyl benzyl ether
Conditions | Yield |
---|---|
With toluene |
sodium methylate
benzyl chloride
4-chloro-phenol
A
chlorophene
B
4-chlorophenyl benzyl ether
Conditions | Yield |
---|---|
With methanol Dampfbad; |
benzyl chloride
4-chloro-phenol
sodium 4-chlorophenolate
A
chlorophene
B
4-chlorophenyl benzyl ether
Conditions | Yield |
---|---|
With zinc(II) chloride at 60℃; zuletzt bei 90grad; | |
With aluminium trichloride; Petroleum ether at 20 - 35℃; | |
With iron(III) oxide |
Conditions | Yield |
---|---|
With zinc(II) chloride at 100℃; Ausschluss von Feuchtigkeit; |
The Clorophene, with the CAS registry number 120-32-1, is also known as 5-Chloro-2-hydroxydiphenylmethane. It belongs to the product categories of Phenoles and Thiophenoles; Alphabetic; B; BA - BH. Its EINECS registry number is 204-385-8. This chemical's molecular formula is C13H11ClO and molecular weight is 218.67884. Its IUPAC name is called 2-benzyl-4-chlorophenol. This chemical's classification codes are Agricultural Chemical; Disinfectant; Germicide, bactericide, disinfectant; Mutation data; Tumor data. It is white to light tan or pink flakes or white crystals. The product should be sealed and stored in cool and dry place. It should be protected from strong oxides. What's more, it can be use as agricultural chemicals and medicine intermediate.
Physical properties of Clorophene: (1)ACD/LogP: 4.42; (2)ACD/LogD (pH 5.5): 4.41; (3)ACD/LogD (pH 7.4): 4.41; (4)ACD/BCF (pH 5.5): 1333.58; (5)ACD/BCF (pH 7.4): 1328.51; (6)ACD/KOC (pH 5.5): 6004.56; (7)ACD/KOC (pH 7.4): 5981.75; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 62.34 cm3; (13)Molar Volume: 179.2 cm3; (14)Surface Tension: 46.9 dyne/cm; (15)Density: 1.22 g/cm3; (16)Flash Point: 159.2 °C; (17)Enthalpy of Vaporization: 60.61 kJ/mol; (18)Boiling Point: 339.6 °C at 760 mmHg; (19)Vapour Pressure: 4.64E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
(2)InChI: InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
(3)InChIKey: NCKMMSIFQUPKCK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | oral | 3gm/kg (3000mg/kg) | National Technical Information Service. Vol. OTS0520317, | |
mouse | LD50 | oral | 65mg/kg (65mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 270, 1959. |
mouse | LD50 | subcutaneous | 350mg/kg (350mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 270, 1959. |
rabbit | LDLo | oral | 620mg/kg (620mg/kg) | National Technical Information Service. Vol. OTS0518161, | |
rabbit | LDLo | skin | 5010mg/kg (5010mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION BLOOD: CHANGES IN SPLEEN | National Technical Information Service. Vol. OTS0520434, |
rat | LC | inhalation | > 13200mg/m3/6 (13200mg/m3) | National Technical Information Service. Vol. OTS0520434, | |
rat | LD50 | oral | 1700mg/kg (1700mg/kg) | Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1068, 1974. |