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Thiophene, 3-bromotetrahydro-, 1,1-dioxide

Thiophene, 3-bromotetrahydro-, 1,1-dioxide structure

CAS No:
14008-53-8
Formula:
C4H7BrO2S
Chemical Name:
Thiophene, 3-bromotetrahydro-, 1,1-dioxide
Synonyms:
Thiophene,3-bromotetrahydro-,1,1-dioxide;3-Bromosulfolane;3-Bromotetrahydrothiophene-1,1-dioxide;NSC 25579;3-Bromo-1λ6-thiolane-1,1-dione;3-Bromothiolane 1,1-dioxide

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Description

Solid

Thiophene, 3-bromotetrahydro-, 1,1-dioxide Basic Attributes

Molecular Weight：

199.07

Exact Mass：

199.07

NSC Number：

25579

HScode：

2934999090

Characteristics

PSA：

42.5

XLogP3：

1.64920

Appearance：

Solid

Density：

1.603 (estimate)

Melting Point：

46-47 °C

Boiling Point：

355.3±35.0 °C(Predicted)

Flash Point：

168.7ºC

Refractive Index：

1.552

Vapor Pressure：

6.45E-05mmHg at 25°C

Toxicity：

Oral-rat LD50: 215 mg/kg; Oral-Mouse LD50: 121 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic bromide and sulfur oxide fumes

Safety Information

Storage features：

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

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:199.07
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:197.93501
Monoisotopic Mass:197.93501
Topological Polar Surface Area:42.5
Heavy Atom Count:8
Complexity:167
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Thiophene, 3-bromotetrahydro-, 1,1-dioxide

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties
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Thiophene, 3-bromotetrahydro-, 1,1-dioxide

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