5,6-difluoro-1H-1,3-benzodiazol-2-amine - CAS 142356-62-5

Catalog:	BB054574
Product Name:	5,6-difluoro-1H-1,3-benzodiazol-2-amine
CAS:	142356-62-5
Synonyms:	1H-Benzimidazol-2-amine, 5,6-difluoro- (9CI); 2-Amino-5,6-difluorobenzimidazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5,6-difluoro-1H-benzimidazol-2-amine
Molecular Weight:	169.13
Molecular Formula:	C7H5F2N3
Canonical SMILES:	C1=C2C(=CC(=C1F)F)N=C(N2)N
InChI:	InChI=1S/C7H5F2N3/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H3,10,11,12)
InChI Key:	ARMZWEKTPLCJKD-UHFFFAOYSA-N
Boiling Point:	378.4±45.0 °C at 760 mmHg
Density:	1.598±0.06 g/cm3

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Related Functional Groups

Amines and Anilines

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1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1082066-00-9]
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2-(1-Benzyl-3-pyrazolyl)ethylamine

Benzimidazoles

[39513-26-3]
5-Bromo-1,3-dihydrobenzoimidazol-2-one
[142356-64-7]
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[1378947-22-8]
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[22492-14-4]
1-(4-Nitrophenyl)-1H-benzimidazole
[61981-79-1]
2-Methyl-1H-benzimidazole-1-ethanamine
[206759-50-4]
4-Bromo-6-nitro-1H-benzo[d]imidazole

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]
2,4-Difluorotoluene
[351-28-0]
3'-Fluoroacetanilide

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

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0451535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.0451535
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5