1-(2-azidoethyl)-4-isothiocyanatobenzene, 91%

Name: 1-(2-azidoethyl)-4-isothiocyanatobenzene
Brand: Chempure

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CAS Number

2752098-48-7

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IUPAC name	1-(2-azidoethyl)-4-isothiocyanatobenzene
inchi	InChI=1S/C9H8N4S/c10-13-12-6-5-8-1-3-9(4-2-8)11-7-14/h1-4H,5-6H2
inchi key	BXCNYXPQAMIWBX-UHFFFAOYSA-N
molecular formula	C9H8N4S
synonyms	1-(2-azidoethyl)-4-isothiocyanatobenzene 2752098-48-7 SCHEMBL25422578 EN300-37440925

Computed Properties

Molecular Weight:	204.25 g/mol
XLogP3:	4.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	4
Exact Mass:	204.04696745 g/mol
Monoisotopic Mass:	204.04696745 g/mol
Topological Polar Surface Area:	58.8 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	258
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. 3 (100%) Skin Corr. 1B (100%) STOT RE 1 (100%)
precautionary statement codes	P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

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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: BZ0487

1-(2-azidoethyl)-4-isothiocyanatobenzene, 91%

Product No: BZ0487

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Certificate of Analysis

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Product No: BZ0487

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?