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METHYL2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE

METHYL2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE structure

CAS No:
117324-58-0
Formula:
C9H8F3NO2
Chemical Name:
METHYL2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE
Synonyms:
METHYL 2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE;Benzoic acid, 2-amino-5-(trifluoromethyl)-, methyl ester;2-amino-5-(trifluoromethyl)Benzoic acid methyl ester;Methyl 2-amino-5-(trifluoromethyl)
Categories:
Organic Chemistry > Coordination Complexes

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METHYL2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE Basic Attributes

Molecular Weight：

219.16

Exact Mass：

219.05071298

DSSTox ID：

DTXSID90557775

HScode：

2922499990

Characteristics

PSA：

52.32000

XLogP3：

2.65540

Appearance：

White powder

Density：

1.343±0.06 g/cm3

Melting Point：

51-52 °C

Boiling Point：

265.9±40.0 °C(Predicted)

Flash Point：

114.632ºC

Refractive Index：

1.491

Vapor Pressure：

0.009mmHg at 25°C

PKA：

1.23±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:219.16
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:219.05071298
Monoisotopic Mass:219.05071298
Topological Polar Surface Area:52.3
Heavy Atom Count:15
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 117324-58-0

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Latest News on METHYL2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE

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Guide of METHYL2-AMINO-5-(TRIFLUOROMETHYL)BENZOATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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