CAS No.50892-23-4,WY-14643 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	50892-23-4
Name:	WY-14643
Article Data:	2

Formula:	C₁₄H₁₄ClN₃O₂S
Molecular Weight:	323.803
Synonyms:	Wyeth 14,643;[4-Chloro-6-(2,3-xylidino)-2-pyriMidinylthio]acetic Acid;Pirinixic Acid;WY-14,643;4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthioacetic acid Pirinixic acid;2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid;
Density:	1.42g/cm³
Melting Point:	155°C
Boiling Point:	514.4°Cat760mmHg
Flash Point:	264.9°C
Risk Codes:	R45; R22; R36/37/38
Safety:	Moderately toxic by ingestion. Suspected carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl⁻, NO_x, and SO_x.
PSA:	100.41000
LogP:	3.74010

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Chemistry

Molecular Structure of Pirinixic acid (CAS NO. 50892-23-4):

IUPAC Name: 2-[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
Molecular Formula: C₁₄H₁₄ClN₃O₂S
Molecular Weight: 323.797860 g/mol
XLogP3-AA: 4.2
H-Bond Donor: 2
H-Bond Acceptor: 5
Canonical SMILES: CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C
InChI: InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKey: SZRPDCCEHVWOJX-UHFFFAOYSA-N
Index of Refraction: 1.657
Molar Refractivity: 83.7 cm³
Molar Volume: 227.3 cm³
Surface Tension: 72.4 dyne/cm
Density: 1.42 g/cm³
Flash Point: 264.9 °C
Enthalpy of Vaporization: 82.75 kJ/mol
Boiling Point: 514.4 °C at 760 mmHg
Vapour Pressure: 2.1E-11 mmHg at 25 °C
Melting Point: 155 °C
Water Solubility: 47.42 mg/L at 25 °C
BRN: 0759945

Toxicity Data With Reference

1.	dns-rat:lvr 1 mmol/L	CALEDQ Cancer Letters (Shannon, Ireland). 24 (1984),147.
2.	dni-mus:oth 100 µmol/L	CNREA8 Cancer Research. 40 (1980),36.
3.	orl-rat TDLo:29 g/kg/69 W-C:CAR	CNREA8 Cancer Research. 39 (1979),152.
4.	orl-mus TDLo:37 g/kg/62 W-C:CAR	CNREA8 Cancer Research. 39 (1979),152.
5.	orl-rat LD50:4150 mg/kg	ATHSBL Atherosclerosis (Shannon, Ireland). 30 (1978),45.
6.	orl-mus LD50:1600 mg/kg	ATHSBL Atherosclerosis (Shannon, Ireland). 30 (1978),45.

Safety Profile

Safety Information of Pirinixic acid (CAS NO. 50892-23-4):
Hazard Codes: T Toxic
Risk Statements: 45-22-36/37/38
R45:May cause cancer
R22:Harmful if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 53-26-36/37/39-45
S53:Avoid exposure - obtain special instructions before use
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: AG2915000
Moderately toxic by ingestion. Suspected carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl⁻, NO_x, and SO_x.

Specification

Pirinixic acid with cas registry number of 50892-23-4 is also known as ((4-Chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)acetic acid ; ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid ; (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid ; 5-25-12-00458 (Beilstein Handbook Reference) ; Acetic acid, ((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)- ; Acetic acid, ((4-chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)- ; Acide pirinixique ; Acide pirinixique [INN-French] ; Acido pirinixico ; Acido pirinixico [INN-Spanish] ; Acidum pirinixicum ; Acidum pirinixicum [INN-Latin] ; CCRIS 133 ; NSC 310038 ; Pirinixic acid [INN] ; UNII-86C4MRT55A ; WY-14,643 ; Wyeth 14,643 .