5-Cyano-2-hydroxy-aniline - CAS 14543-43-2

Catalog:	BB076873
Product Name:	5-Cyano-2-hydroxy-aniline
CAS:	14543-43-2
Synonyms:	2-Amino-4-cyano-phenol; Benzonitrile, 3-amino-4-hydroxy-; NSC114712; 2-Amino-5-cyanophenol; 2-Amino-5-cyano-phenol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-amino-4-hydroxybenzonitrile
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	C1=CC(=C(C=C1C#N)N)O
InChI:	InChI=1S/C7H6N2O/c8-4-5-1-2-7(10)6(9)3-5/h1-3,10H,9H2
InChI Key:	ZEWCASRNRWXXSO-UHFFFAOYSA-N
Boiling Point:	345.1±32.0°C (Predicted)
Melting Point:	151-153°C
Purity:	95%
Density:	1.33±0.1 g/cm3 (Predicted)
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Brown Solid
Storage:	Store at 2-8°C under inert atmosphere, Light sensitive

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (66.67%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.048012819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	70
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9