6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine, 95%

Name: 6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine
Brand: Chempure

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CAS Number

1019119-61-9

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About this item

IUPAC name	6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine
inchi	InChI=1S/C11H11NO2S/c15-8-12-4-3-9-1-2-10-11(7-9)14-6-5-13-10/h1-2,7H,3-6H2
inchi key	WQTAEIAJAJWHCC-UHFFFAOYSA-N
molecular formula	C11H11NO2S
synonyms	6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine 1019119-61-9 AKOS000212090 EN300-65574 G24403

Computed Properties

Molecular Weight:	221.28 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	221.05104977 g/mol
Monoisotopic Mass:	221.05104977 g/mol
Topological Polar Surface Area:	62.9 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	253
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 Irrit. 2 (100%) Skin Sens. 1 (100%) Eye Dam. 1 (100%) Resp. Sens. 1 (100%) STOT SE 3 (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, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, 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] 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] 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!

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About this item

IUPAC name	6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine
inchi	InChI=1S/C11H11NO2S/c15-8-12-4-3-9-1-2-10-11(7-9)14-6-5-13-10/h1-2,7H,3-6H2
inchi key	WQTAEIAJAJWHCC-UHFFFAOYSA-N
molecular formula	C11H11NO2S
synonyms	6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine 1019119-61-9 AKOS000212090 EN300-65574 G24403

Computed Properties

Molecular Weight:	221.28 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	221.05104977 g/mol
Monoisotopic Mass:	221.05104977 g/mol
Topological Polar Surface Area:	62.9 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	253
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 Irrit. 2 (100%) Skin Sens. 1 (100%) Eye Dam. 1 (100%) Resp. Sens. 1 (100%) STOT SE 3 (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, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, 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] 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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AX8812

6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine, 95%

Product No: AX8812

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AX8812

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?