CAS:33697-81-3 / 2-(3-chloro-4-hydroxyphenyl)acetic acid--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 33697-81-3
2-(3-chloro-4-hydroxyphenyl)acetic acid

Structure
Name: 2-(3-chloro-4-hydroxyphenyl)acetic acid
Synonyms:

General Information

Product Number: 33697813

CAS Registry Number: 33697-81-3

Name:

Benzeneacetic acid, 3-chloro-4-hydroxy-

Acetic acid, (3-chloro-4-hydroxyphenyl)- (8CI); 2-(3-Chloro-4-hydroxyphenyl)acetic acid; 3-Chloro-4-hydroxybenzeneacetic acid; 3-Chloro-4-hydroxyphenylacetic acid; 4-Hydroxy-3-chlorophenylacetic acid

Chemical Formula: C8H7ClO3

Exact Mass: 186.01

Molecular Weight: 186.59

m/z: 186.01 (100.0%), 188.01 (32.6%), 187.01 (8.8%), 189.01 (2.8%)

Elemental Analysis: C, 51.49; H, 3.78; Cl, 19.00; O, 25.72

InChI: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)

InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N

Canonical SMILES : C1=CC(=C(C=C1CC(=O)O)Cl)O

Thermal Properties	Value	Condition	Note
Boiling Point	140-160 °C	Press: 0.05 Torr	(1)CAS
Melting Point	108-110 °C		(5)CAS
Melting Point	107 °C		(1)CAS
Melting Point	105-107 °C	Solv: benzene (71-43-2); hexane (110-54-3)	(7)IC

Specification

98%

References

(1) Hromatka, Otto; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1942, V75B, P123-31 CAPLUS
(2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
(4) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
(5) Davis, Rohan A.; Tetrahedron Letters 2005, V46(6), P919-921 CAPLUS
(7) Gaviraghi, G.; Farmaco, Edizione Scientifica 1977, V32(4), P286-95 CAPLUS
(8) Pierens, Gregory K.; Journal of Natural Products 2008, V71(5), P810-813 CAPLUS
(9) Shono, Tatsuya; DE 3207506 A1 1982 CAPLUS

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