3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine
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![3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c6f879f7b9e64dbb81c3f6c21986dee2.png "3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine")
3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine
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CAS No:
202197-26-0
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Formula:
C13H11ClFNO
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Chemical Name:
3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine
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Synonyms:
Benzenamine,3-chloro-4-[(3-fluorophenyl)methoxy]-;3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine;3-Chloro-4-[(3-fluorobenzyl)oxy]aniline;[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amine;4-(3-Fluorobenzyloxy)-3-chloroaniline;3-Chloro-4-[(3-fluorophenyl)methoxy]aniline
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CAS No:
3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine Basic Attributes
251.684
251.68
445-590-4
DTXSID10427603
2922299090
Characteristics
35.25000
3.4
1.3±0.1 g/cm3
78.0 to 82.0 °C
387.9±32.0 °C at 760 mmHg
188.4±25.1 °C
1.607
3.19E-06mmHg at 25°C
Safety Information
III
3077
P201, P202, P260, P264, P270, P273, P281, P301+P312, P308+P313, P314, P330, P391, P405, P501
H302
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P281, P301+P312, P308+P313, P314, P330, P391, P405, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 91 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine Use and Manufacturing
3-Chloro-4-(3-fluorobenzyloxy)aniline is an intermediate in the synthesis of Lapatinib (L175800).
Computed Properties
Molecular Weight:251.68
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:251.0513198
Monoisotopic Mass:251.0513198
Topological Polar Surface Area:35.2
Heavy Atom Count:17
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine
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