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2-Benzothiazolinone

2-Benzothiazolinone structure

CAS No:
934-34-9
Formula:
C7H5NOS
Chemical Name:
2-Benzothiazolinone
Synonyms:
2(3H)-Benzothiazolone;2-Benzothiazolinone;2-Hydroxybenzothiazole;2-Benzothiazolol;Benzothiazolone;2-Benzothiazolone;2-Oxobenzothiazole;NSC 26422;NSC 33823;NSC 7706;1,3-Benzothiazol-2(3H)-one;2,3-Dihydro-1,3-benzothiazol-2-one;1,3-Benzothiazol-2-ol;4464-59-9;60362-05-2;92353-21-4
Categories:
Agrochemicals > Pesticide Intermediates

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Description

off-white to light brown crystalline powder

2-hydroxybenzothiazole is benzothiazole substituted with a hydroxy group at the 2-position.

2-Benzothiazolinone Basic Attributes

Molecular Weight：

151.19

Exact Mass：

151.19

EC Number：

213-281-1

UNII：

7T26K7NG46

NSC Number：

33823|26422|7706

DSSTox ID：

DTXSID6061315

HScode：

2934999090

Characteristics

PSA：

54.4

XLogP3：

1.8

Appearance：

off-white to light brown crystalline powder

Density：

1.4±0.1 g/cm3

Melting Point：

139 °C

Boiling Point：

360 °C

Flash Point：

171.5±19.3 °C

Refractive Index：

1.745

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Collision Cross Section：

123.75 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 79 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Benzothiazolinone Use and Manufacturing

Methods of Manufacturing

The preparation method is to reflux bis(2-nitrobenzene) disulfide, Na2S·9H2O and water for 30 minutes, add 48% NaOH aqueous solution and dichloromethane to the mixture, cool to 50°C, and pass phosgene to the solution 2h, then stir at 5℃ for 2h, filter at room temperature to get the finished product,

Uses

2-Hydroxybenzothiazole is an intermediate of the herbicide thiazolate and thiazolin.

Manufacturing Info：

2(3H)-Benzothiazolone: ACTIVE

Computed Properties

Molecular Weight:151.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:151.00918496
Monoisotopic Mass:151.00918496
Topological Polar Surface Area:54.4
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

Recommended Suppliers of 2-Benzothiazolinone

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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2-Benzothiazolol

CAS No.: 934-34-9

Content: 99.00%

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