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5-(Bromomethyl)isothiazole

5-(Bromomethyl)isothiazole structure

CAS No:
208837-85-8
Formula:
C4H4BrNS
Chemical Name:
5-(Bromomethyl)isothiazole
Synonyms:
Isothiazole,5-(bromomethyl)-;5-(Bromomethyl)isothiazole

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5-(Bromomethyl)isothiazole Basic Attributes

Molecular Weight：

178.05026

Exact Mass：

178.05

DSSTox ID：

DTXSID90733774

Characteristics

PSA：

41.1

XLogP3：

2.03800

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:178.05
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.92478
Monoisotopic Mass:176.92478
Topological Polar Surface Area:41.1
Heavy Atom Count:7
Complexity:59.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Bromomethyl)isothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(Bromomethyl)isothiazole

SDS

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