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BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE&

BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE& structure

CAS No:
690634-12-9
Formula:
C11H12N4S
Chemical Name:
BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE&
Synonyms:
1-(pyrrolidin-1-ylcarbonothioyl)-1h-benzotriazole;benzotriazol-1-yl(pyrrolidin-1-yl)methanethione;SCHEMBL2488952;CTK5C9016;DTXSID00396450;ZINC15780050;BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE;Benzotriazol-1-ylpyrrolidin-1-ylmethanethione, 97%;(1H-Benzotriazol-1-yl)(pyrrolidin-1-yl)methanethione;1-(pyrrolidine-1-carbothioyl)-1H-1,2,3-benzotriazole

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BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE& Basic Attributes

Molecular Weight：

232.31

Exact Mass：

232.07800

DSSTox ID：

DTXSID00396450

Characteristics

PSA：

66.04000

XLogP3：

1.59800

Density：

1.41g/cm3

Melting Point：

151-155 °C(lit.)

Boiling Point：

387.6ºC at 760 mmHg

Flash Point：

188.2ºC

Refractive Index：

1.752

Safety Information

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, 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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:232.31
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Exact Mass:232.07826757
Monoisotopic Mass:232.07826757
Topological Polar Surface Area:66
Heavy Atom Count:16
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE&

Basic Attributes
Characteristics
Safety Information
Computed Properties

BENZOTRIAZOL-1-YLPYRROLIDIN-1-YLMETHANE&

SDS

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