1-bromo-2-isocyanato-4-methoxybenzene, 95%

Name: 1-bromo-2-isocyanato-4-methoxybenzene
Brand: Chempure

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CAS Number

1016885-72-5

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IUPAC name	1-bromo-2-isocyanato-4-methoxybenzene
canonical smiles	COC1=CC(=C(C=C1)Br)N=C=O
inchi	InChI=1S/C8H6BrNO2/c1-12-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
inchi key	BFLCOJOPDHIETH-UHFFFAOYSA-N
molecular formula	C8H6BrNO2
synonyms	1-bromo-2-isocyanato-4-methoxybenzene 1016885-72-5 AKOS000192265 EN300-271426

Computed Properties

Molecular Weight:	228.04 g/mol
XLogP3:	3.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	226.95819 g/mol
Monoisotopic Mass:	226.95819 g/mol
Topological Polar Surface Area:	38.7 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	192
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	Danger
hazard classes and categories	Acute Tox. 4 (100%) Skin Sens. 1 (100%) Eye Dam. 1 (100%) Resp. Sens. 1 (100%)
precautionary statement codes	P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

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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: AX6909

1-bromo-2-isocyanato-4-methoxybenzene, 95%

Product No: AX6909

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Product No: AX6909

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?