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2-Chlorobenzothiazole

2-Chlorobenzothiazole structure

CAS No:
615-20-3
Formula:
C7H4ClNS
Chemical Name:
2-Chlorobenzothiazole
Synonyms:
Benzothiazole,2-chloro-;Benzothiazole,1-chloro-;2-Chlorobenzothiazole;NSC 8442;2-Chloro-1,3-benzothiazole;2-Chlorobenzo[d]thiazole;2-Chloro-1H-benzo[d]thiazole
Categories:
Agrochemicals > Pesticide Intermediates

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Description

CLEAR YELLOW TO YELLOW-BROWNISH LIQUID

2-Chlorobenzothiazole Basic Attributes

Molecular Weight：

169.63

Exact Mass：

169.63

BRN：

116316

EC Number：

210-415-0

UNII：

FN1T1Y0P5P

NSC Number：

8442

DSSTox ID：

DTXSID2052289

HScode：

29342080

Characteristics

PSA：

41.1

XLogP3：

3.2

Appearance：

Clear yellow to yellow-brownish Liquid

Density：

1.4±0.1 g/cm3

Melting Point：

24 °C

Boiling Point：

248 °C

Flash Point：

>230 °F

Refractive Index：

1.696

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Toxicity：

Oral-rat LDL0: 250 mg/kg; Abdominal cavity-mouse LD50: 200 mg/kg

Flammability characteristics：

Combustible in heat; thermal decomposition emits toxic nitrogen oxides, sulfur oxides, chloride fumes

Safety Information

Hazard category：

2.2

Transport codes：

2810

wgk germany：

hazard class code：

36/37/38-22-20/21/22

safety instructions：

23-24/25-37/39-26-36

RTECS Number：

DL3150000

Marks：

Xn,Xi

Storage features：

The warehouse is low-temperature, ventilated and dry; stored separately from food materials

Hazard note：

Irritant

Precautionary statement(s)：

P260, P264, P270, P271, P273, P280, P284, P301+P310, P301+P312, P304+P340, P305+P351+P338, P310, P320, P321, P330, P337+P313, P391, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (83.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P301+P312, P304+P340, P305+P351+P338, P310, P320, P321, P330, P337+P313, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

2-Chlorobenzothiazole Use and Manufacturing

Methods of Manufacturing

The preparation method is to add 2-mercaptobenzothiazole, toluene and catalyst into the reaction kettle, heat up, pass in a certain amount of phosgene, react to the end, use hydrogen to drive off hydrogen chloride and remaining phosgene, and then desolvate to obtain the product . Chlorine gas can also be used for chlorination. Put 2-mercaptobenzothiazole, solvent and catalyst into the reactor, start stirring, heat up to a certain temperature, and start chlorine gas. When the chlorine gas reaches a certain amount, take a sample for analysis. The product is obtained by pressure removal and distillation.

Uses

Paddy field herbicide for the production of pesticide

Manufacturing Info：

Benzothiazole, 2-chloro-: ACTIVE

Computed Properties

Molecular Weight:169.63
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Exact Mass:168.9752980
Monoisotopic Mass:168.9752980
Topological Polar Surface Area:41.1
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Ethyl trichloroacetate

Hydrochloric acid

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