CAS No.83-05-6,4,4'-DDA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83-05-6
Name:	4,4'-DDA
Article Data:	28

Formula:	C₁₄H₁₀Cl₂O₂
Molecular Weight:	281.138
Synonyms:	Aceticacid, bis(p-chlorophenyl)- (6CI,7CI,8CI);2,2-Bis(4-chlorophenyl)acetic acid;Bis(4-chlorophenyl)acetic acid;Bis(p-chlorophenyl)acetic acid;Benzeneacetic acid,4-chloro-a-(4-chlorophenyl)-;DDA(degradation product);Di(p-chlorophenyl)acetic acid;Dichlorodiphenylaceticacid;NSC 4279;p,p'-DDA;
EINECS:	201-451-8
Density:	1.373 g/cm³
Melting Point:	167-169 °C
Boiling Point:	411.4 °C at 760 mmHg
Flash Point:	202.6 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-40
Safety:	7-22-36-45
PSA:	37.30000
LogP:	4.20990

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Specification

The DDA, with the CAS registry number 83-05-6, is also known as Bis(4-chlorophenyl)acetic acid. It belongs to the product categories of Metabolites Alphabetic; Environmental Standards; P; PA - PEN; Pesticides & Metabolites. Its EINECS number is 201-451-8. This chemical's molecular formula is C₁₄H₁₀Cl₂O₂and molecular weight is 281.13. What's more, its IUPAC name is 2,2-bis(4-chlorophenyl)acetic acid. Its classification codes are: (1)Antihypertensive Agents; (2)Cardiovascular Agents; (3)Immunologic Factors; (4)Immunosuppressive agents; (5)Mitogens; (6)Mitosis Modulators; (7)Mutation data; (8)Reproductive Effect. It should be sealed and stored in a cool and dry place. What's more, it should be protected from light.

Physical properties of DDA are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 16.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 71.24; (8)ACD/KOC (pH 7.4): 1.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 71.55 cm³; (15)Molar Volume: 204.6 cm³; (16)Polarizability: 28.36×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 202.6 °C; (20)Enthalpy of Vaporization: 70 kJ/mol; (21)Boiling Point: 411.4 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-07 mmHg at 25°C.

Preparation of DDA: this chemical can be prepared by formic acid, 4,4'-dichloro-benzhydrol at the temperature of 15 °C. This reaction will need 97% H₂SO₄ with the reaction time of 1.3 hours. The yield is about 92%.

DDA can be prepared by formic acid, 4,4'-dichloro-benzhydrol at the temperature of 15 °C

Uses of DDA: it can be used to produce 2,2-bis-(4-chloro-phenyl)-ethanol. It will need reagent lithium aluminium hydride and solvent diethyl ether. The yield is about 90%.

DDA can be used to produce 2,2-bis-(4-chloro-phenyl)-ethanol

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It has a limited evidence of a carcinogenic effect. You must keep the container tightly closed. What's more, you should not breathe dust. When using it, you need wear suitable protective clothing. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)O)Cl
(2)InChI: InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
(3)InChIKey: YIOCIFXUGBYCJR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	590mg/kg (590mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 73, Pg. 128, 1946.
rat	LD50	oral	740mg/kg (740mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING LIVER: OTHER CHANGES	"Clinical Memoranda on Economic Poisons," U.S. Dept. HEW, Public Health Service, Communicable Disease Center, Atlanta, GA, 1956Vol. -, Pg. 1, 1956.