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N-Butyl-1,2-benzisothiazolin-3-one

N-Butyl-1,2-benzisothiazolin-3-one structure

CAS No:
4299-07-4
Formula:
C11H13NOS
Chemical Name:
N-Butyl-1,2-benzisothiazolin-3-one
Synonyms:
1,2-Benzisothiazol-3(2H)-one,2-butyl-;1,2-Benzisothiazolin-3-one,2-butyl-;2-Butyl-1,2-benzisothiazol-3(2H)-one;Densil DN;N-Butylbenzisothiazolin-3-one;Vanquish 100;Proxel XL 2S;2-Butyl-2,3-dihydrobenzisothiazol-3-one;N-Butyl-1,2-benzisothiazolin-3-one;BBIT;N-n-Butyl-1,2-benzisothiazolin-3-one;2-Butylbenzo[d]isothiazol-3(2H)-one;2-n-Butylbenzisothiazolin-3-one;2-Butyl-1,2-benzisothiazolin-3-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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N-Butyl-1,2-benzisothiazolin-3-one Basic Attributes

Molecular Weight：

207.29200

Exact Mass：

207.29

EC Number：

420-590-7

UNII：

7PK26VAT4Q

DSSTox ID：

DTXSID2035649

HScode：

2934999090

Characteristics

PSA：

50.24000

XLogP3：

2.7

Density：

1.177 g/cm3

Boiling Point：

332.921ºC at 760 mmHg

Safety Information

Precautionary statement(s)：

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P391, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P391, P405, and P501|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|Aggregated GHS information provided by 602 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 21 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.29
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:207.07178521
Monoisotopic Mass:207.07178521
Topological Polar Surface Area:45.6
Heavy Atom Count:14
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4299-07-4

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CAS No.: 4299-07-4

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Guide of N-Butyl-1,2-benzisothiazolin-3-one

Basic Attributes
Characteristics
Safety Information
Computed Properties
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