2-Amino-4-chloro-5-(trifluoromethyl)aniline - CAS 157590-59-5

Name: 2-Amino-4-chloro-5-(trifluoromethyl)aniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011328
Product Name:	2-Amino-4-chloro-5-(trifluoromethyl)aniline
CAS:	157590-59-5
Synonyms:	4-chloro-5-(trifluoromethyl)benzene-1,2-diamine; 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-5-(trifluoromethyl)benzene-1,2-diamine
Description:	2-Amino-4-chloro-5-(trifluoromethyl)aniline (CAS# 157590-59-5) is a useful research chemical.
Molecular Weight:	210.58
Molecular Formula:	C7H6ClF3N2
Canonical SMILES:	C1=C(C(=CC(=C1N)N)Cl)C(F)(F)F
InChI:	InChI=1S/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChI Key:	BUSGYQISMPLVIJ-UHFFFAOYSA-N
Boiling Point:	305.1 °C at 760 mmHg
Density:	1.51 g/cm³
MDL:	MFCD00119550
LogP:	3.68560

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Related Functional Groups

Amines and Anilines

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[17583-40-3]C8H8N2
2-(Methylamino)benzonitrile
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[1239647-61-0]C7H8N4
2-Amino-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
[1197237-96-9]C10H26Cl3N3
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020099511-A1	Benzimidazole-2-methyl-morpholine derivatives	20181114
WO-2020007964-A1	2-(2-azabicyclo[3.1.0]hexan-1-yl)-1h-benzimidazole derivatives	20180705
AU-2017316742-A1	Antibiotic compounds	20160822
CA-3034000-A1	Antibiotic compounds	20160822
EP-3500567-A1	Antibiotic compounds	20160822

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0171604
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.0171604
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1