5-(Trifluoromethyl)-1,3-phenylenediamine - CAS 368-53-6

Name: 5-(Trifluoromethyl)-1,3-phenylenediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023112
Product Name:	5-(Trifluoromethyl)-1,3-phenylenediamine
CAS:	368-53-6
Synonyms:	5-(trifluoromethyl)benzene-1,3-diamine

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Computed Properties

IUPAC Name:	5-(trifluoromethyl)benzene-1,3-diamine
Description:	5-(Trifluoromethyl)-1,3-phenylenediamine (CAS# 368-53-6) is a useful research chemical.
Molecular Weight:	176.14
Molecular Formula:	C7H7F3N2
Canonical SMILES:	C1=C(C=C(C=C1N)N)C(F)(F)F
InChI:	InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2
InChI Key:	KZSXRDLXTFEHJM-UHFFFAOYSA-N
Boiling Point:	275 °C at 760 mmHg
Melting Point:	87-89 °C
Purity:	95 %
Density:	1.381 g/cm³
Appearance:	Brown powder
MDL:	MFCD00014776
LogP:	3.03220

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]C9H6ND3
3-(Phenyl-2-D)propanenitrile-2,2-D2
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

GHS Hazard Statement:	H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (10.87%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H315 (17.39%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (93.48%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (13.04%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (19.57%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.05613272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.05613272
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2