(3-ethynylphenyl)urea, 95%

Name: (3-ethynylphenyl)urea
Brand: Chempure

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CAS Number

1017034-89-7

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IUPAC name	(3-ethynylphenyl)urea
inchi	InChI=1S/C9H8N2O/c1-2-7-4-3-5-8(6-7)11-9(10)12/h1,3-6H,(H3,10,11,12)
inchi key	JXYKVQKWRHFXCJ-UHFFFAOYSA-N
molecular formula	C9H8N2O
synonyms	(3-ethynylphenyl)urea 1017034-89-7 SCHEMBL20530116 AKOS000181462 CS-0265677

Computed Properties

Molecular Weight:	160.17 g/mol
XLogP3:	1.2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	160.063662883 g/mol
Monoisotopic Mass:	160.063662883 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	216
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, P317, 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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AX7024

(3-ethynylphenyl)urea, 95%

Product No: AX7024

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Product No: AX7024

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?