[(3-fluorophenyl)methyl]urea, 95%

Name: [(3-fluorophenyl)methyl]urea
Brand: Chempure

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CAS Number

1039852-38-4

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About this item

IUPAC name	(3-fluorophenyl)methylurea
canonical smiles	C1=CC(=CC(=C1)F)CNC(=O)N
inchi	InChI=1S/C8H9FN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
inchi key	KMDBYQHBKWOBMN-UHFFFAOYSA-N
molecular formula	C8H9FN2O
synonyms	[(3-fluorophenyl)methyl]urea 1039852-38-4 N-(3-fluorobenzyl)urea (3-fluorophenyl)methylurea 3-(3-fluorobenzyl)urea

Computed Properties

Molecular Weight:	168.17 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	168.06989108 g/mol
Monoisotopic Mass:	168.06989108 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	163
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	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]

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Product No: AY4942

[(3-fluorophenyl)methyl]urea, 95%

Product No: AY4942

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Product No: AY4942

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?