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2-Chlorophenothiazine

2-Chlorophenothiazine structure

CAS No:
92-39-7
Formula:
C12H8ClNS
Chemical Name:
2-Chlorophenothiazine
Synonyms:
10H-Phenothiazine,2-chloro-;Phenothiazine,2-chloro-;2-Chloro-10H-phenothiazine;2-Chlorophenothiazine;NSC 170953;NSC 17469;NSC 67188
Categories:
Analytical Chemistry > Standard

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Description

GREYISH TO SLIGHTLY GREEN OR BROWNISH POWDER

2-Chlorophenothiazine Basic Attributes

Molecular Weight：

233.72

Exact Mass：

233.72

BRN：

176587

EC Number：

202-152-5

UNII：

95H3AO2301

NSC Number：

170953|67188|17469

DSSTox ID：

DTXSID3057854

HScode：

2934300000

Characteristics

PSA：

37.3

XLogP3：

4.8

Appearance：

gray powder

Density：

1.3±0.1 g/cm3

Melting Point：

199.5 °C

Boiling Point：

395.7ºC at 760 mmHg

Flash Point：

193.1±24.8 °C

Refractive Index：

1.680

Storage Conditions：

Refrigerator

Toxicity：

Intravenous-Mouse LD50: 18 mg/kg

Flammability characteristics：

Combustible, decomposes toxic chloride, sulfur oxide and nitrogen oxide gas when burning

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

SN7580000

Marks：

Storage features：

Treasury is low temperature, ventilated, dry; stored separately from food raw materials

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (68.18%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P272, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 66 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

2-Chlorophenothiazine Use and Manufacturing

Methods of Manufacturing

It is obtained by cyclization of m-chlorodiphenylamine. Add m-chlorodiphenylamine and sulfur to the reaction pot, warm to 70°C, and add iodine. The temperature is raised to 120°C, hydrogen sulfide is discharged under reduced pressure, and then the temperature is raised to 168-172°C, and the temperature is kept for 0.5h. Cool, add chlorobenzene and activated carbon, and heat to reflux for 1h. While hot filtering, the filtrate was cooled to 15 ℃ crystallized. Filtration was carried out, and the filter cake was washed once with chlorobenzene and ethanol to obtain 2-chlorophenothiazine.

Uses

Metabolite ofChloropromazine

Manufacturing Info：

10H-Phenothiazine, 2-chloro-: INACTIVE

Computed Properties

Molecular Weight:233.72
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:233.0065981
Monoisotopic Mass:233.0065981
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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