CAS:5345-54-0 / 3-chloro-4-methoxyaniline--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 5345-54-0
3-chloro-4-methoxyaniline

Structure
Name: 3-chloro-4-methoxyaniline
Synonyms:

General Information

Product Number: 5345540

CAS Registry Number: 5345-54-0

Name:

Benzenamine, 3-chloro-4-methoxy-

p-Anisidine, 3-chloro- (7CI,8CI); 2-Chloro-4-aminoanisole; 3-Chloro-4-(methyloxy)aniline; 3-Chloro-4-anisidine; 3-Chloro-4-methoxyaniline; 3-Chloro-4-methoxybenzenamine; 3-Chloro-4-methoxyphenylamine; 3-Chloro-p-anisidine; 4-Methoxy-3-chloroaniline; NSC 1706

Chemical Formula: C7H8ClNO

Exact Mass: 157.03

Molecular Weight: 157.60

m/z: 157.03 (100.0%), 159.03 (32.2%), 158.03 (8.0%), 160.03 (2.5%)

Elemental Analysis: C, 53.35; H, 5.12; Cl, 22.50; N, 8.89; O, 10.15

InChI: InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3

InChIKey: XQVCBOLNTSUFGD-UHFFFAOYSA-N

Canonical SMILES : COC1=C(C=C(C=C1)N)Cl

Thermal Properties	Value	Note
Melting Point	54.5 °C	(5)CAS
Melting Point	54-55 °C	(6)CAS
Melting Point	50-55 °C	(7)SRC

Specification

98%

References

(1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
(3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(4) Gradiski, D.; Toxicological European Research 1979, V2(2), P77-86 CAPLUS
(5) Wilson, Harold F.; US 3238223 1966 CAPLUS
(6) Wilson, Harold F.; FR 1349517 1964 CAPLUS
(7) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
(8) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
(9) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
(10) Kline, Mike; Magnetic Resonance in Chemistry 2003, V41(5), P307-314 CAPLUS
(11) Xie, Jin; Bioorganic & Medicinal Chemistry 2011, V19(3), P1242-1255 CAPLUS
(12) Dwivedi, A. H.; Journal of the Indian Chemical Society 2005, V82(5), P424-427 CAPLUS

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