3-Fluoro-p-anisidine - CAS 366-99-4

Name: 3-Fluoro-p-anisidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3-fluoro-4-methoxyaniline
Description:	3-Fluoro-4-methoxyaniline was used as a reagent in the synthesis of novel leucine ureido derivatives which have potent inhibitory activity againt aminopeptidase N. Also used in the synthesis of novel mGluR1 antagonists for the treatment of chronic pain.
Molecular Weight:	141.14
Molecular Formula:	C7H8FNO
Canonical SMILES:	COC1=C(C=C(C=C1)N)F
InChI:	InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChI Key:	LJWAPDSCYTZUJU-UHFFFAOYSA-N
Boiling Point:	135 °C (18 mmHg)
Purity:	98 %
Density:	1.176 g/cm³
Appearance:	Light beige to yellow-brown crystalline powder
MDL:	MFCD00075040
LogP:	1.99770

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112592318-A	2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof	20201212
US-11014898-B1	Benzothiazepine compounds and their use as bile acid modulators	20201204
CN-111825679-A	Novel spiro-pyrrole [2, 1-b ] quinazolinone derivative and preparation method and application thereof	20200706
US-2021171479-A1	Benzothiazepine compounds and their use as bile acid modulators	20191204
US-2021299141-A1	Benzothiazepine compounds and their use as bile acid modulators	20191204

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.058992041
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.058992041
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3