1-isocyano-2-methylbenzene, 92%

Name: 1-isocyano-2-methylbenzene
Brand: Chempure

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CAS Number

10468-64-1

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IUPAC name	1-isocyano-2-methylbenzene
canonical smiles	CC1=CC=CC=C1[N+]#[C-]
inchi	InChI=1S/C8H7N/c1-7-5-3-4-6-8(7)9-2/h3-6H,1H3
inchi key	HGHZICGHCZFYNX-UHFFFAOYSA-N
molecular formula	C8H7N
synonyms	2-Tolylisocyanide 10468-64-1 1-isocyano-2-methylbenzene o-Tolyl isocyanide 2-TOLYLISOCYANIDE 95

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	117.057849228 g/mol
Monoisotopic Mass:	117.057849228 g/mol
Topological Polar Surface Area:	4.4 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	131
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	Skin Irrit. 2 (95.12%) Eye Irrit. 2 (95.12%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (95.12%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.12%): 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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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AY6753

1-isocyano-2-methylbenzene, 92%

Product No: AY6753

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?